ethane;1-(3-methylcyclohexyl)pyrrolidine

C13H27N — CID 144810931

IUPACethane;1-(3-methylcyclohexyl)pyrrolidine
SMILESCC.CC1CCCC(N2CCCC2)C1
InChIInChI=1S/C11H21N.C2H6/c1-10-5-4-6-11(9-10)12-7-2-3-8-12;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyZYCLETHEKFVAEI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds1

About ethane;1-(3-methylcyclohexyl)pyrrolidine

ethane;1-(3-methylcyclohexyl)pyrrolidine (PubChem CID 144810931) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;1-(3-methylcyclohexyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-(3-methylcyclohexyl)pyrrolidine
PubChem CID144810931
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;1-(3-methylcyclohexyl)pyrrolidine
SMILESCC.CC1CCCC(N2CCCC2)C1
InChIInChI=1S/C11H21N.C2H6/c1-10-5-4-6-11(9-10)12-7-2-3-8-12;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyZYCLETHEKFVAEI-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445
1-ethyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784147
1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 784145
1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
CID 26458332
4-[(1S,3S)-3-methylcyclohexyl]piperazine-1-carbaldehyde
CID 758116
1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine
CID 2900133
3-methyl-2-(3-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926371
(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
CID 115302430
1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550960

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylcyclohexyl)pyrrolidine?
The IUPAC name of ethane;1-(3-methylcyclohexyl)pyrrolidine (CID 144810931) is ethane;1-(3-methylcyclohexyl)pyrrolidine.
What is the SMILES notation for ethane;1-(3-methylcyclohexyl)pyrrolidine?
The canonical SMILES for ethane;1-(3-methylcyclohexyl)pyrrolidine is CC.CC1CCCC(N2CCCC2)C1.
What is the InChIKey of ethane;1-(3-methylcyclohexyl)pyrrolidine?
The InChIKey is ZYCLETHEKFVAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-10-5-4-6-11(9-10)12-7-2-3-8-12;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methylcyclohexyl)pyrrolidine?
ethane;1-(3-methylcyclohexyl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylcyclohexyl)pyrrolidine is sourced from PubChem (CID 144810931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).