3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine

C14H21N3 — CID 116925164

IUPAC3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
SMILESCn1cnc2cc(CC(C)(C)CCN)ccc21
InChIInChI=1S/C14H21N3/c1-14(2,6-7-15)9-11-4-5-13-12(8-11)16-10-17(13)3/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyDALSNGHNDDPCCX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.49
Rot. Bonds4

About 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine

3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine (PubChem CID 116925164) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
PubChem CID116925164
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
SMILESCn1cnc2cc(CC(C)(C)CCN)ccc21
InChIInChI=1S/C14H21N3/c1-14(2,6-7-15)9-11-4-5-13-12(8-11)16-10-17(13)3/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyDALSNGHNDDPCCX-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-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

2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116927691
2,2-difluoro-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116838287
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
CID 115212382
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine
CID 115202593
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine
CID 116930918
2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124487

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine (CID 116925164) is 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine is Cn1cnc2cc(CC(C)(C)CCN)ccc21.
What is the InChIKey of 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine?
The InChIKey is DALSNGHNDDPCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2,6-7-15)9-11-4-5-13-12(8-11)16-10-17(13)3/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine?
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine is sourced from PubChem (CID 116925164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).