1-ethyl-N-octan-2-ylazepan-4-amine

C16H34N2 — CID 65073941

IUPAC1-ethyl-N-octan-2-ylazepan-4-amine
SMILESCCCCCCC(C)NC1CCCN(CC)CC1
InChIInChI=1S/C16H34N2/c1-4-6-7-8-10-15(3)17-16-11-9-13-18(5-2)14-12-16/h15-17H,4-14H2,1-3H3
InChIKeyYOYPLPIRVIDZIY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds8

About 1-ethyl-N-octan-2-ylazepan-4-amine

1-ethyl-N-octan-2-ylazepan-4-amine (PubChem CID 65073941) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-ethyl-N-octan-2-ylazepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-octan-2-ylazepan-4-amine
PubChem CID65073941
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-ethyl-N-octan-2-ylazepan-4-amine
SMILESCCCCCCC(C)NC1CCCN(CC)CC1
InChIInChI=1S/C16H34N2/c1-4-6-7-8-10-15(3)17-16-11-9-13-18(5-2)14-12-16/h15-17H,4-14H2,1-3H3
InChIKeyYOYPLPIRVIDZIY-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
N-heptan-2-ylcycloheptanamine
CID 43082272
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol
CID 65073310
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
N-heptan-2-yl-1,2-dimethylpiperidin-4-amine
CID 81301499

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-octan-2-ylazepan-4-amine?
The IUPAC name of 1-ethyl-N-octan-2-ylazepan-4-amine (CID 65073941) is 1-ethyl-N-octan-2-ylazepan-4-amine.
What is the SMILES notation for 1-ethyl-N-octan-2-ylazepan-4-amine?
The canonical SMILES for 1-ethyl-N-octan-2-ylazepan-4-amine is CCCCCCC(C)NC1CCCN(CC)CC1.
What is the InChIKey of 1-ethyl-N-octan-2-ylazepan-4-amine?
The InChIKey is YOYPLPIRVIDZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-6-7-8-10-15(3)17-16-11-9-13-18(5-2)14-12-16/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-ethyl-N-octan-2-ylazepan-4-amine?
1-ethyl-N-octan-2-ylazepan-4-amine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-octan-2-ylazepan-4-amine is sourced from PubChem (CID 65073941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).