ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine

C84H200N14O — CID 157299362

IUPACethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)C1CCNCN1.CC(C)C1CNCCN1.CC(C)C1CNCNC1.CC(C)C1NCCCN1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/3C8H17N.5C7H16N2.C7H15NO.9C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-3-5-9-6-4-8;9*1-2/h2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3*6-9H,3-5H2,1-2H3;7H,3-6H2,1-2H3;9*1-2H3
InChIKeyBBSHSPKYHGHHQR-UHFFFAOYSA-N
MW1422.62 g/mol
LogP17.14
Rot. Bonds9

About ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine

ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine (PubChem CID 157299362) has the molecular formula C84H200N14O and a molecular weight of 1422.62 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
PubChem CID157299362
Molecular FormulaC84H200N14O
Molecular Weight1422.62 g/mol
Exact Mass1421.60
IUPAC Nameethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)C1CCNCN1.CC(C)C1CNCCN1.CC(C)C1CNCNC1.CC(C)C1NCCCN1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/3C8H17N.5C7H16N2.C7H15NO.9C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-3-5-9-6-4-8;9*1-2/h2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3*6-9H,3-5H2,1-2H3;7H,3-6H2,1-2H3;9*1-2H3
InChIKeyBBSHSPKYHGHHQR-UHFFFAOYSA-N
XLogP17.14
TPSA151.28 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001422.62
LogP ≤ 517.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-[[(2R,4S,5S)-5-(morpholin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 28991045
1-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 11943338
1-(2-methoxyethyl)-3-[[(2R,4S,5S)-5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiourea
CID 25389345
1-(2-morpholin-4-ylethyl)-3-[[(2R,4S,5S)-5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiourea
CID 25389352
1-(2-methoxyethyl)-3-[[(2R,4S,5S)-5-[(4-methylpiperidin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiourea
CID 25389384
1-(2-morpholin-4-ylethyl)-3-[[(2R,4S,5S)-5-(morpholin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiourea
CID 28991054
1-[[(2R,4S,5S)-5-[(4-methylpiperidin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 28991095
1-[[(2R,4S,5S)-5-[(4-methylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 44716398
1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
CID 91291877
4-[[4-[[(5R)-5-methylpiperidin-2-yl]methyl]piperazin-1-yl]methyl]morpholine
CID 130429207
(22R)-27-ethyl-22,34-dimethyl-9-oxa-1,2,12,14,17,20,27,30,32-nonazaheptacyclo[30.2.2.214,17.18,12.02,7.019,24.025,30]nonatriacontane
CID 130429280
N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 140414606

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The IUPAC name of ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine (CID 157299362) is ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine.
What is the SMILES notation for ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The canonical SMILES for ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCNC1.CC(C)C1CCNCC1.CC(C)C1CCNCN1.CC(C)C1CNCCN1.CC(C)C1CNCNC1.CC(C)C1NCCCN1.CC(C)N1CCCCC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.
What is the InChIKey of ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The InChIKey is BBSHSPKYHGHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17N.5C7H16N2.C7H15NO.9C2H6/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-8-5-9-4-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-3-5-9-6-4-8;9*1-2/h2*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3*6-9H,3-5H2,1-2H3;7H,3-6H2,1-2H3;9*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine has a molecular weight of 1422.62 g/mol, XLogP of 17.14, 9 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;5-propan-2-yl-1,3-diazinane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;2-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine is sourced from PubChem (CID 157299362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).