1-(cyclohexylmethyl)-4-propylazepane

C16H31N — CID 70936958

IUPAC1-(cyclohexylmethyl)-4-propylazepane
SMILESCCCC1CCCN(CC2CCCCC2)CC1
InChIInChI=1S/C16H31N/c1-2-7-15-10-6-12-17(13-11-15)14-16-8-4-3-5-9-16/h15-16H,2-14H2,1H3
InChIKeyWJPGYVULCZQHMY-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.47
Rot. Bonds4

About 1-(cyclohexylmethyl)-4-propylazepane

1-(cyclohexylmethyl)-4-propylazepane (PubChem CID 70936958) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propylazepane.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-propylazepane
PubChem CID70936958
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(cyclohexylmethyl)-4-propylazepane
SMILESCCCC1CCCN(CC2CCCCC2)CC1
InChIInChI=1S/C16H31N/c1-2-7-15-10-6-12-17(13-11-15)14-16-8-4-3-5-9-16/h15-16H,2-14H2,1H3
InChIKeyWJPGYVULCZQHMY-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
CID 169242088
propylcyclotetradecane
CID 90991550
1-(cyclobutylmethyl)-4-hexylpiperidine
CID 167565501
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
1-methyl-4-[(4-propylcyclohexyl)methyl]piperazine
CID 91446978
1-(3-bromo-2,2-dimethylpropyl)-4-propylazepane
CID 64997751
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
CID 64735469
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-propylazepane
CID 65006739
formonitrile;propylcyclohexane
CID 174902049
1-cyclohexyl-6-propylcyclodecane
CID 58552139

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-propylazepane?
The IUPAC name of 1-(cyclohexylmethyl)-4-propylazepane (CID 70936958) is 1-(cyclohexylmethyl)-4-propylazepane.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-propylazepane?
The canonical SMILES for 1-(cyclohexylmethyl)-4-propylazepane is CCCC1CCCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-propylazepane?
The InChIKey is WJPGYVULCZQHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-2-7-15-10-6-12-17(13-11-15)14-16-8-4-3-5-9-16/h15-16H,2-14H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-4-propylazepane?
1-(cyclohexylmethyl)-4-propylazepane has a molecular weight of 237.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-propylazepane is sourced from PubChem (CID 70936958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).