3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine

C17H28N2 — CID 104690312

IUPAC3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
SMILESCCC1CCCCCN1CCC(N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-2-16-11-7-4-8-13-19(16)14-12-17(18)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,2,4,7-8,11-14,18H2,1H3
InChIKeyZEMXHXUBTCLBCS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.73
Rot. Bonds5

About 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine

3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine (PubChem CID 104690312) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
PubChem CID104690312
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
SMILESCCC1CCCCCN1CCC(N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-2-16-11-7-4-8-13-19(16)14-12-17(18)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,2,4,7-8,11-14,18H2,1H3
InChIKeyZEMXHXUBTCLBCS-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
1-(2-chloro-2-phenylethyl)-2-ethylpiperidine
CID 82214216
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111464659
(1S)-3-[2-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)butyl]pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 71048627
1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
CID 104691933
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine (CID 104690312) is 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine is CCC1CCCCCN1CCC(N)c1ccccc1.
What is the InChIKey of 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine?
The InChIKey is ZEMXHXUBTCLBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-16-11-7-4-8-13-19(16)14-12-17(18)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,2,4,7-8,11-14,18H2,1H3.
What are the key properties of 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine?
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 104690312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).