N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine

C13H24N4 — CID 65078294

IUPACN-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C13H24N4/c1-2-8-17-9-3-4-12(5-10-17)16-11-13-14-6-7-15-13/h6-7,12,16H,2-5,8-11H2,1H3,(H,14,15)
InChIKeyNGTHGKJFHBWABB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.76
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine

N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine (PubChem CID 65078294) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
PubChem CID65078294
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C13H24N4/c1-2-8-17-9-3-4-12(5-10-17)16-11-13-14-6-7-15-13/h6-7,12,16H,2-5,8-11H2,1H3,(H,14,15)
InChIKeyNGTHGKJFHBWABB-UHFFFAOYSA-N
XLogP1.76
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-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 N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine (CID 65078294) is N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine is CCCN1CCCC(NCc2ncc[nH]2)CC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine?
The InChIKey is NGTHGKJFHBWABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-8-17-9-3-4-12(5-10-17)16-11-13-14-6-7-15-13/h6-7,12,16H,2-5,8-11H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine?
N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65078294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).