N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C18H36N2 — CID 115998876

IUPACN-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCCN2CCCCCC2)CC(C)(C)C1
InChIInChI=1S/C18H36N2/c1-17(2)13-16(14-18(3,4)15-17)19-9-12-20-10-7-5-6-8-11-20/h16,19H,5-15H2,1-4H3
InChIKeyDFNNQPUEEASOMX-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 115998876) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID115998876
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCCN2CCCCCC2)CC(C)(C)C1
InChIInChI=1S/C18H36N2/c1-17(2)13-16(14-18(3,4)15-17)19-9-12-20-10-7-5-6-8-11-20/h16,19H,5-15H2,1-4H3
InChIKeyDFNNQPUEEASOMX-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 114547459
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 107911542
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine
CID 80706409
N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
CID 65286769
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
CID 80560908
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870840
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 115998876) is N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(NCCN2CCCCCC2)CC(C)(C)C1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is DFNNQPUEEASOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2)13-16(14-18(3,4)15-17)19-9-12-20-10-7-5-6-8-11-20/h16,19H,5-15H2,1-4H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 115998876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).