1-(azepan-1-yl)-2-phenylhexan-2-amine

C18H30N2 — CID 43829768

IUPAC1-(azepan-1-yl)-2-phenylhexan-2-amine
SMILESCCCCC(N)(CN1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-2-3-13-18(19,17-11-7-6-8-12-17)16-20-14-9-4-5-10-15-20/h6-8,11-12H,2-5,9-10,13-16,19H2,1H3
InChIKeyKOTAMOCRRVRNDU-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About 1-(azepan-1-yl)-2-phenylhexan-2-amine

1-(azepan-1-yl)-2-phenylhexan-2-amine (PubChem CID 43829768) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-phenylhexan-2-amine.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-phenylhexan-2-amine
PubChem CID43829768
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(azepan-1-yl)-2-phenylhexan-2-amine
SMILESCCCCC(N)(CN1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-2-3-13-18(19,17-11-7-6-8-12-17)16-20-14-9-4-5-10-15-20/h6-8,11-12H,2-5,9-10,13-16,19H2,1H3
InChIKeyKOTAMOCRRVRNDU-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
4-phenyloct-1-yn-4-amine
CID 10845757
1,1-diphenylpentan-1-amine
CID 10263654
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
1-(azocan-1-yl)-2,2-diphenylhexan-1-one
CID 166327388
(2S)-2-phenylhexan-2-amine
CID 10889241
3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride
CID 11972143
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873
2,2-diphenyl-5-piperidin-1-ylpentan-1-amine
CID 22767303

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-phenylhexan-2-amine?
The IUPAC name of 1-(azepan-1-yl)-2-phenylhexan-2-amine (CID 43829768) is 1-(azepan-1-yl)-2-phenylhexan-2-amine.
What is the SMILES notation for 1-(azepan-1-yl)-2-phenylhexan-2-amine?
The canonical SMILES for 1-(azepan-1-yl)-2-phenylhexan-2-amine is CCCCC(N)(CN1CCCCCC1)c1ccccc1.
What is the InChIKey of 1-(azepan-1-yl)-2-phenylhexan-2-amine?
The InChIKey is KOTAMOCRRVRNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-3-13-18(19,17-11-7-6-8-12-17)16-20-14-9-4-5-10-15-20/h6-8,11-12H,2-5,9-10,13-16,19H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-phenylhexan-2-amine?
1-(azepan-1-yl)-2-phenylhexan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-phenylhexan-2-amine is sourced from PubChem (CID 43829768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).