N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C17H27N3 — CID 79750698

IUPACN-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)CC(C)(C)C
InChIInChI=1S/C17H27N3/c1-6-18-13(12-17(2,3)4)11-16-19-14-9-7-8-10-15(14)20(16)5/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyAFLDXKFZGDZSFC-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.53
Rot. Bonds5

About N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 79750698) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID79750698
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)CC(C)(C)C
InChIInChI=1S/C17H27N3/c1-6-18-13(12-17(2,3)4)11-16-19-14-9-7-8-10-15(14)20(16)5/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyAFLDXKFZGDZSFC-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750625
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116758110
[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105226520
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105164919
3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116717051
N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116720444
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 79750698) is N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CCNC(Cc1nc2ccccc2n1C)CC(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is AFLDXKFZGDZSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-6-18-13(12-17(2,3)4)11-16-19-14-9-7-8-10-15(14)20(16)5/h7-10,13,18H,6,11-12H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79750698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).