N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C17H27N3 — CID 105074483

IUPACN-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCCCCN1c1cnccc1CNC1CC1
InChIInChI=1S/C17H27N3/c1-2-16-6-4-3-5-11-20(16)17-13-18-10-9-14(17)12-19-15-7-8-15/h9-10,13,15-16,19H,2-8,11-12H2,1H3
InChIKeyGSTUEXCLGFRQQE-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.49
Rot. Bonds5

About N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105074483) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105074483
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCCCCN1c1cnccc1CNC1CC1
InChIInChI=1S/C17H27N3/c1-2-16-6-4-3-5-11-20(16)17-13-18-10-9-14(17)12-19-15-7-8-15/h9-10,13,15-16,19H,2-8,11-12H2,1H3
InChIKeyGSTUEXCLGFRQQE-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine 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

N-[[4-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81250159
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
[4-(2-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 81239529
N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073729
4-(2-ethylpiperidin-1-yl)pyridin-3-amine
CID 43266305
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073996
N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 54885642
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073899
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
N-[[3-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073750

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 105074483) is N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine is CCC1CCCCCN1c1cnccc1CNC1CC1.
What is the InChIKey of N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is GSTUEXCLGFRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-16-6-4-3-5-11-20(16)17-13-18-10-9-14(17)12-19-15-7-8-15/h9-10,13,15-16,19H,2-8,11-12H2,1H3.
What are the key properties of N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105074483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).