N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine

C17H27N3 — CID 62563007

IUPACN-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine
SMILESCc1nc2ccccc2n1C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H27N3/c1-12(2)16(11-18-17(4,5)6)20-13(3)19-14-9-7-8-10-15(14)20/h7-10,12,16,18H,11H2,1-6H3
InChIKeyMGURYAUFQKAKMF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.93
Rot. Bonds4

About N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine

N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine (PubChem CID 62563007) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine
PubChem CID62563007
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine
SMILESCc1nc2ccccc2n1C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H27N3/c1-12(2)16(11-18-17(4,5)6)20-13(3)19-14-9-7-8-10-15(14)20/h7-10,12,16,18H,11H2,1-6H3
InChIKeyMGURYAUFQKAKMF-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 63105068
1-(1-chloropropan-2-yl)-2-methylbenzimidazole
CID 21239359
2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
CID 62563525
3-(2-methylbenzimidazol-1-yl)butan-2-amine
CID 61351774
N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine
CID 62563009
N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine
CID 62563351
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
2-methyl-N-(2-quinolin-2-ylpropyl)propan-2-amine
CID 170592923
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine (CID 62563007) is N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine is Cc1nc2ccccc2n1C(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine?
The InChIKey is MGURYAUFQKAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(2)16(11-18-17(4,5)6)20-13(3)19-14-9-7-8-10-15(14)20/h7-10,12,16,18H,11H2,1-6H3.
What are the key properties of N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine?
N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 62563007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).