1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine

C18H30N2 — CID 114929756

IUPAC1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
SMILESCCC1CCCN(CC(N)CCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-16-9-6-13-20(14-12-16)15-18(19)11-10-17-7-4-3-5-8-17/h3-5,7-8,16,18H,2,6,9-15,19H2,1H3
InChIKeyKRKOUPRYFPADKX-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine

1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine (PubChem CID 114929756) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
PubChem CID114929756
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
SMILESCCC1CCCN(CC(N)CCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-16-9-6-13-20(14-12-16)15-18(19)11-10-17-7-4-3-5-8-17/h3-5,7-8,16,18H,2,6,9-15,19H2,1H3
InChIKeyKRKOUPRYFPADKX-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
3-amino-4-(4-ethylazepan-1-yl)butan-1-ol
CID 64898347
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
1-phenyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 62205972
(2S)-2-amino-1-(3-ethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104983954
1-(2-cyclopentylpyrrolidin-1-yl)-4-phenylbutan-2-amine
CID 114929669

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine (CID 114929756) is 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine is CCC1CCCN(CC(N)CCc2ccccc2)CC1.
What is the InChIKey of 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine?
The InChIKey is KRKOUPRYFPADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-16-9-6-13-20(14-12-16)15-18(19)11-10-17-7-4-3-5-8-17/h3-5,7-8,16,18H,2,6,9-15,19H2,1H3.
What are the key properties of 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine?
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine is sourced from PubChem (CID 114929756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).