1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine

C16H29N3 — CID 79744545

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(Cc2nccn2CC)CC1
InChIInChI=1S/C16H29N3/c1-3-6-14-7-5-9-16(17,10-8-14)13-15-18-11-12-19(15)4-2/h11-12,14H,3-10,13,17H2,1-2H3
InChIKeyLWTWRDOAIGVJMC-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.52
Rot. Bonds5

About 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine

1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 79744545) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
PubChem CID79744545
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(Cc2nccn2CC)CC1
InChIInChI=1S/C16H29N3/c1-3-6-14-7-5-9-16(17,10-8-14)13-15-18-11-12-19(15)4-2/h11-12,14H,3-10,13,17H2,1-2H3
InChIKeyLWTWRDOAIGVJMC-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-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

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine (CID 79744545) is 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(Cc2nccn2CC)CC1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is LWTWRDOAIGVJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-6-14-7-5-9-16(17,10-8-14)13-15-18-11-12-19(15)4-2/h11-12,14H,3-10,13,17H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine?
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 79744545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).