N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine

C15H30N2O — CID 106872015

IUPACN-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(NCCN2CCCCCC2)C1
InChIInChI=1S/C15H30N2O/c1-18-15-8-6-7-14(13-15)16-9-12-17-10-4-2-3-5-11-17/h14-16H,2-13H2,1H3
InChIKeyMPBYCVBDUZVUBK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine

N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine (PubChem CID 106872015) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine
PubChem CID106872015
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(NCCN2CCCCCC2)C1
InChIInChI=1S/C15H30N2O/c1-18-15-8-6-7-14(13-15)16-9-12-17-10-4-2-3-5-11-17/h14-16H,2-13H2,1H3
InChIKeyMPBYCVBDUZVUBK-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-methylcyclohexan-1-amine
CID 14480118
1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]azepan-4-amine
CID 65070781
2-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propane-1,2-diamine
CID 103388999
N'-(2,2-difluoroethyl)-N'-(3-methoxycyclohexyl)ethane-1,2-diamine
CID 107494469
N'-(3-methoxycyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 113966416
3-N-ethyl-5-methoxy-1-N-methylcyclohexane-1,3-diamine
CID 20705169
(1S,2R,4R)-4-methoxy-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine
CID 54071384
(1S,2R,4S)-4-methoxy-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine
CID 54071385
(1S,2S,4S)-4-methoxy-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine
CID 54071386
(1S,2S,4R)-4-methoxy-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine
CID 54071387
N-ethyl-3-methoxycyclohexan-1-amine
CID 64091349
cis-(3-Methoxy-cyclohexyl)-methyl-amine
CID 89230528

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine (CID 106872015) is N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine is COC1CCCC(NCCN2CCCCCC2)C1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine?
The InChIKey is MPBYCVBDUZVUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-18-15-8-6-7-14(13-15)16-9-12-17-10-4-2-3-5-11-17/h14-16H,2-13H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine?
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 106872015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).