2-[(2-methylcyclopentyl)methyl]azocane

C14H27N — CID 91042457

IUPAC2-[(2-methylcyclopentyl)methyl]azocane
SMILESCC1CCCC1CC1CCCCCCN1
InChIInChI=1S/C14H27N/c1-12-7-6-8-13(12)11-14-9-4-2-3-5-10-15-14/h12-15H,2-11H2,1H3
InChIKeyJRECKDKBZCBCCL-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds2

About 2-[(2-methylcyclopentyl)methyl]azocane

2-[(2-methylcyclopentyl)methyl]azocane (PubChem CID 91042457) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-[(2-methylcyclopentyl)methyl]azocane.

Molecular Properties

Compound Name2-[(2-methylcyclopentyl)methyl]azocane
PubChem CID91042457
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-[(2-methylcyclopentyl)methyl]azocane
SMILESCC1CCCC1CC1CCCCCCN1
InChIInChI=1S/C14H27N/c1-12-7-6-8-13(12)11-14-9-4-2-3-5-10-15-14/h12-15H,2-11H2,1H3
InChIKeyJRECKDKBZCBCCL-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
(2S)-2-(cyclohexylmethyl)piperidine
CID 51377530
2-(cycloheptylmethyl)piperidine
CID 79006754
trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
CID 146946174
1-(cycloundecylmethyl)-2-methylcyclotridecane
CID 123643293
5-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010596
4-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010595
2-[(3,5-dimethylcyclohexyl)methyl]piperidine
CID 64731136
7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 3527750
2-ethylpiperidine;hydrobromide
CID 131717239
2-(fluoromethyl)azocane
CID 170142115

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentyl)methyl]azocane?
The IUPAC name of 2-[(2-methylcyclopentyl)methyl]azocane (CID 91042457) is 2-[(2-methylcyclopentyl)methyl]azocane.
What is the SMILES notation for 2-[(2-methylcyclopentyl)methyl]azocane?
The canonical SMILES for 2-[(2-methylcyclopentyl)methyl]azocane is CC1CCCC1CC1CCCCCCN1.
What is the InChIKey of 2-[(2-methylcyclopentyl)methyl]azocane?
The InChIKey is JRECKDKBZCBCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-12-7-6-8-13(12)11-14-9-4-2-3-5-10-15-14/h12-15H,2-11H2,1H3.
What are the key properties of 2-[(2-methylcyclopentyl)methyl]azocane?
2-[(2-methylcyclopentyl)methyl]azocane has a molecular weight of 209.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentyl)methyl]azocane is sourced from PubChem (CID 91042457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).