1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine

C17H27N3O — CID 103031480

IUPAC1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)Cn1cnc2ccccc21
InChIInChI=1S/C17H27N3O/c1-5-18-14(10-11-17(2,3)21-4)12-20-13-19-15-8-6-7-9-16(15)20/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyZZROAACLRKGRKN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.22
Rot. Bonds8

About 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine

1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103031480) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103031480
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)Cn1cnc2ccccc21
InChIInChI=1S/C17H27N3O/c1-5-18-14(10-11-17(2,3)21-4)12-20-13-19-15-8-6-7-9-16(15)20/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyZZROAACLRKGRKN-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031337
1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
CID 105077571
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
CID 105108409
[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105313825
1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
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CID 105180009
1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
CID 105164987
1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine
CID 105179707
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 105173484
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine (CID 103031480) is 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is ZZROAACLRKGRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-18-14(10-11-17(2,3)21-4)12-20-13-19-15-8-6-7-9-16(15)20/h6-9,13-14,18H,5,10-12H2,1-4H3.
What are the key properties of 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine?
1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103031480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).