N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine

C17H29N3 — CID 104692153

IUPACN-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1CCCCCC1CC
InChIInChI=1S/C17H29N3/c1-3-11-18-14-15-9-8-12-19-17(15)20-13-7-5-6-10-16(20)4-2/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3
InChIKeyFPFKIKRUUYTLET-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.74
Rot. Bonds6

About N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 104692153) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID104692153
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1N1CCCCCC1CC
InChIInChI=1S/C17H29N3/c1-3-11-18-14-15-9-8-12-19-17(15)20-13-7-5-6-10-16(20)4-2/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3
InChIKeyFPFKIKRUUYTLET-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294414
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388708
[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159
1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
CID 114055606
N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380858
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
CID 114055804
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62282809
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62890085
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
N-[[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287310
N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286314

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 104692153) is N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1N1CCCCCC1CC.
What is the InChIKey of N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is FPFKIKRUUYTLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-11-18-14-15-9-8-12-19-17(15)20-13-7-5-6-10-16(20)4-2/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3.
What are the key properties of N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 104692153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).