methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine

C79H171N5O — CID 159345239

IUPACmethane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
SMILESC.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)C1CCOCC1
InChIInChI=1S/2C9H19N.C9H18.3C8H17N.C8H16O.2C8H16.4CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;;;;/h2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;4*1H4
InChIKeyLGQHSNUYSYVGFK-UHFFFAOYSA-N
MW1207.27 g/mol
LogP22.35
Rot. Bonds9

About methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine

methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine (PubChem CID 159345239) has the molecular formula C79H171N5O and a molecular weight of 1207.27 g/mol. Its IUPAC name is methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Namemethane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
PubChem CID159345239
Molecular FormulaC79H171N5O
Molecular Weight1207.27 g/mol
Exact Mass1206.35
IUPAC Namemethane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine
SMILESC.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)C1CCOCC1
InChIInChI=1S/2C9H19N.C9H18.3C8H17N.C8H16O.2C8H16.4CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;;;;/h2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;4*1H4
InChIKeyLGQHSNUYSYVGFK-UHFFFAOYSA-N
XLogP22.35
TPSA43.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.27
LogP ≤ 522.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
ethane;3-methyl-4-propan-2-yloxane;3-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine
CID 160735575
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045714
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
1-[(2R)-2-piperidin-4-ylpropyl]-3-propan-2-ylpiperidine
CID 126703854
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine
CID 116935927
2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid
CID 116825117
1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
CID 143713816

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The IUPAC name of methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine (CID 159345239) is methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine.
What is the SMILES notation for methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The canonical SMILES for methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine is C.C.C.C.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)C1CCOCC1.
What is the InChIKey of methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
The InChIKey is LGQHSNUYSYVGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C9H18.3C8H17N.C8H16O.2C8H16.4CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;;;;/h2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;4*1H4.
What are the key properties of methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine?
methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine has a molecular weight of 1207.27 g/mol, XLogP of 22.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);4-propan-2-yloxane;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine is sourced from PubChem (CID 159345239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).