ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone

C86H178N10O6 — CID 159993938

IUPACethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC.CC.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CCC(C(C)C)CC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)C1CN(C)C1.CC(C)C1COC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C10H19NO.C9H18N2O.2C9H19N.C8H18N2.2C8H15NO.C8H16O.C7H15N.C6H12O.2C2H6/c2*1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;2*1-6(2)8-4-9(5-8)7(3)10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6;2*1-2/h8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*6,8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyOHHMLTDDHWRETI-UHFFFAOYSA-N
MW1448.43 g/mol
LogP15.93
Rot. Bonds10

About ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone

ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 159993938) has the molecular formula C86H178N10O6 and a molecular weight of 1448.43 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID159993938
Molecular FormulaC86H178N10O6
Molecular Weight1448.43 g/mol
Exact Mass1447.39
IUPAC Nameethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC.CC.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CCC(C(C)C)CC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)C1CN(C)C1.CC(C)C1COC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C10H19NO.C9H18N2O.2C9H19N.C8H18N2.2C8H15NO.C8H16O.C7H15N.C6H12O.2C2H6/c2*1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;2*1-6(2)8-4-9(5-8)7(3)10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6;2*1-2/h8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*6,8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyOHHMLTDDHWRETI-UHFFFAOYSA-N
XLogP15.93
TPSA119.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001448.43
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 157518640
Cyclobutyl-(3-propan-2-ylazetidin-1-yl)methanone;2,6-dimethyl-4-propan-2-yloxane;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;ethane;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclobutane;4-propan-2-yloxane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 157900898
N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine
CID 158575852
2-Methyl-1-piperazin-1-ylpropan-1-one;bis(1-methyl-3-propan-2-ylazetidine);1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine
CID 159235042
2-Methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-ylazetidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 159615931
Ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 161402239
2-Methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 165012656
2-Methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 165090205
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 167590484
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine
CID 167636064
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine
CID 167643253
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine
CID 167710776

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 159993938) is ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC.CC.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CCC(C(C)C)CC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)C1CN(C)C1.CC(C)C1COC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is OHHMLTDDHWRETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H18N2O.2C9H19N.C8H18N2.2C8H15NO.C8H16O.C7H15N.C6H12O.2C2H6/c2*1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;2*1-6(2)8-4-9(5-8)7(3)10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8(3)5-7;1-5(2)6-3-7-4-6;2*1-2/h8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*6,8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone?
ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 1448.43 g/mol, XLogP of 15.93, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 159993938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).