2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine

C17H26N2 — CID 79984707

IUPAC2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine
SMILESNCC(c1ccc(C2CC2)cc1)N1CCCCCC1
InChIInChI=1S/C17H26N2/c18-13-17(19-11-3-1-2-4-12-19)16-9-7-15(8-10-16)14-5-6-14/h7-10,14,17H,1-6,11-13,18H2
InChIKeyYQNUNWAKUWDENA-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.44
Rot. Bonds4

About 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine

2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine (PubChem CID 79984707) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine
PubChem CID79984707
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine
SMILESNCC(c1ccc(C2CC2)cc1)N1CCCCCC1
InChIInChI=1S/C17H26N2/c18-13-17(19-11-3-1-2-4-12-19)16-9-7-15(8-10-16)14-5-6-14/h7-10,14,17H,1-6,11-13,18H2
InChIKeyYQNUNWAKUWDENA-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid
CID 79978018
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-(4-cyclopropylphenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 79984560
2-(4-cyclopropylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 79984492
2-(4-cyclopropylphenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 79984860
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
(2S)-2-piperidin-1-yl-2-pyridin-4-ylethanamine
CID 39254713
2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 16792257
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine (CID 79984707) is 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine is NCC(c1ccc(C2CC2)cc1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine?
The InChIKey is YQNUNWAKUWDENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-13-17(19-11-3-1-2-4-12-19)16-9-7-15(8-10-16)14-5-6-14/h7-10,14,17H,1-6,11-13,18H2.
What are the key properties of 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine?
2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine has a molecular weight of 258.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine is sourced from PubChem (CID 79984707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).