N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine

C16H32N2 — CID 61241929

IUPACN-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
SMILESCC(NCCN1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-15(16-9-5-4-6-10-16)17-11-14-18-12-7-2-3-8-13-18/h15-17H,2-14H2,1H3
InChIKeyDUVSHVMRJJRGJB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine

N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine (PubChem CID 61241929) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
PubChem CID61241929
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
SMILESCC(NCCN1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N2/c1-15(16-9-5-4-6-10-16)17-11-14-18-12-7-2-3-8-13-18/h15-17H,2-14H2,1H3
InChIKeyDUVSHVMRJJRGJB-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
(1S)-1-cycloheptyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81393168
1-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 62631760
(1R)-1-cyclopentyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81394367
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 115708798
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
CID 65286870
1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
CID 62556728
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-1-cyclopropylethanamine
CID 55160453

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine (CID 61241929) is N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine is CC(NCCN1CCCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine?
The InChIKey is DUVSHVMRJJRGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(16-9-5-4-6-10-16)17-11-14-18-12-7-2-3-8-13-18/h15-17H,2-14H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine?
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 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]-1-cyclohexylethanamine is sourced from PubChem (CID 61241929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).