N-(1-cyclohexylethyl)oxepan-4-amine

C14H27NO — CID 65079313

IUPACN-(1-cyclohexylethyl)oxepan-4-amine
SMILESCC(NC1CCCOCC1)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-12(13-6-3-2-4-7-13)15-14-8-5-10-16-11-9-14/h12-15H,2-11H2,1H3
InChIKeySWLCGSKYXNLFRN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds3

About N-(1-cyclohexylethyl)oxepan-4-amine

N-(1-cyclohexylethyl)oxepan-4-amine (PubChem CID 65079313) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)oxepan-4-amine
PubChem CID65079313
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(1-cyclohexylethyl)oxepan-4-amine
SMILESCC(NC1CCCOCC1)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-12(13-6-3-2-4-7-13)15-14-8-5-10-16-11-9-14/h12-15H,2-11H2,1H3
InChIKeySWLCGSKYXNLFRN-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
N-cyclohexyl-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]piperidine-1-carboxamide
CID 97070572
N-[(1S)-1-cyclohexylethyl]oxetan-3-amine
CID 81388066
4-methyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103901835
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
N-cyclooctyloxepan-4-amine
CID 65076823

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)oxepan-4-amine?
The IUPAC name of N-(1-cyclohexylethyl)oxepan-4-amine (CID 65079313) is N-(1-cyclohexylethyl)oxepan-4-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)oxepan-4-amine?
The canonical SMILES for N-(1-cyclohexylethyl)oxepan-4-amine is CC(NC1CCCOCC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)oxepan-4-amine?
The InChIKey is SWLCGSKYXNLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(13-6-3-2-4-7-13)15-14-8-5-10-16-11-9-14/h12-15H,2-11H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)oxepan-4-amine?
N-(1-cyclohexylethyl)oxepan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)oxepan-4-amine is sourced from PubChem (CID 65079313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).