N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine

C14H23N3 — CID 102970042

IUPACN-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine
SMILESCC(NCC1CCC1)c1nc2c([nH]1)CCCC2
InChIInChI=1S/C14H23N3/c1-10(15-9-11-5-4-6-11)14-16-12-7-2-3-8-13(12)17-14/h10-11,15H,2-9H2,1H3,(H,16,17)
InChIKeyICUPBJSWCGUVJR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.74
Rot. Bonds4

About N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine

N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine (PubChem CID 102970042) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine
PubChem CID102970042
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine
SMILESCC(NCC1CCC1)c1nc2c([nH]1)CCCC2
InChIInChI=1S/C14H23N3/c1-10(15-9-11-5-4-6-11)14-16-12-7-2-3-8-13(12)17-14/h10-11,15H,2-9H2,1H3,(H,16,17)
InChIKeyICUPBJSWCGUVJR-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine 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-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
CID 102970503
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine
CID 63927415
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 102970600
N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114207826
1-N'-(cyclobutylmethyl)ethane-1,1-diamine
CID 173135813
N-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 15851824
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
oxolan-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 102969999

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine (CID 102970042) is N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine is CC(NCC1CCC1)c1nc2c([nH]1)CCCC2.
What is the InChIKey of N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is ICUPBJSWCGUVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10(15-9-11-5-4-6-11)14-16-12-7-2-3-8-13(12)17-14/h10-11,15H,2-9H2,1H3,(H,16,17).
What are the key properties of N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine?
N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 102970042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).