N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

C15H23N3 — CID 170866849

IUPACN,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCC(C)n1c(CCCN(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-12(2)18-14-9-6-5-8-13(14)16-15(18)10-7-11-17(3)4/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyKUBAGYNPZVIGDW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.11
Rot. Bonds5

About N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (PubChem CID 170866849) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
PubChem CID170866849
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCC(C)n1c(CCCN(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-12(2)18-14-9-6-5-8-13(14)16-15(18)10-7-11-17(3)4/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyKUBAGYNPZVIGDW-UHFFFAOYSA-N
XLogP3.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
CID 60835042
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (CID 170866849) is N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is CC(C)n1c(CCCN(C)C)nc2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is KUBAGYNPZVIGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)18-14-9-6-5-8-13(14)16-15(18)10-7-11-17(3)4/h5-6,8-9,12H,7,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 170866849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).