N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine

C15H21N3 — CID 115765848

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
SMILESCCn1c(CNC2(C)CCC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-3-18-13-8-5-4-7-12(13)17-14(18)11-16-15(2)9-6-10-15/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKeyORTMQKPNUGRNTJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.09
Rot. Bonds4

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine (PubChem CID 115765848) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
PubChem CID115765848
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
SMILESCCn1c(CNC2(C)CCC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-3-18-13-8-5-4-7-12(13)17-14(18)11-16-15(2)9-6-10-15/h4-5,7-8,16H,3,6,9-11H2,1-2H3
InChIKeyORTMQKPNUGRNTJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 60696042
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 61020851
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine (CID 115765848) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine is CCn1c(CNC2(C)CCC2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine?
The InChIKey is ORTMQKPNUGRNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-18-13-8-5-4-7-12(13)17-14(18)11-16-15(2)9-6-10-15/h4-5,7-8,16H,3,6,9-11H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 115765848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).