2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine

C16H30N4 — CID 79050671

IUPAC2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(c1nccn1C)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H30N4/c1-5-17-14(15-18-10-13-19(15)4)16(2,3)20-11-8-6-7-9-12-20/h10,13-14,17H,5-9,11-12H2,1-4H3
InChIKeyJGYXZJSKWKKKGZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.73
Rot. Bonds5

About 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine

2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 79050671) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID79050671
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(c1nccn1C)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H30N4/c1-5-17-14(15-18-10-13-19(15)4)16(2,3)20-11-8-6-7-9-12-20/h10,13-14,17H,5-9,11-12H2,1-4H3
InChIKeyJGYXZJSKWKKKGZ-UHFFFAOYSA-N
XLogP2.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)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-ethyl-2-methyl-2-morpholin-4-yl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051327
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 79051106
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056069
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056070
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 104515805
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
CID 79051803
2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051819
N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
CID 79761018
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine (CID 79050671) is 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine is CCNC(c1nccn1C)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is JGYXZJSKWKKKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-17-14(15-18-10-13-19(15)4)16(2,3)20-11-8-6-7-9-12-20/h10,13-14,17H,5-9,11-12H2,1-4H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine?
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 79050671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).