6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine

C16H25N3 — CID 79750125

IUPAC6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
SMILESCCn1c(CCCC(N)C(C)C)nc2ccccc21
InChIInChI=1S/C16H25N3/c1-4-19-15-10-6-5-9-14(15)18-16(19)11-7-8-13(17)12(2)3/h5-6,9-10,12-13H,4,7-8,11,17H2,1-3H3
InChIKeyVEYXQYJJFFCYAY-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.36
Rot. Bonds6

About 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine

6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine (PubChem CID 79750125) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
PubChem CID79750125
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
SMILESCCn1c(CCCC(N)C(C)C)nc2ccccc21
InChIInChI=1S/C16H25N3/c1-4-19-15-10-6-5-9-14(15)18-16(19)11-7-8-13(17)12(2)3/h5-6,9-10,12-13H,4,7-8,11,17H2,1-3H3
InChIKeyVEYXQYJJFFCYAY-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
2-(4-bromohexyl)-1-ethylbenzimidazole
CID 79751263
1-ethyl-2-pentylbenzimidazole
CID 3463966
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119866298

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine?
The IUPAC name of 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine (CID 79750125) is 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine is CCn1c(CCCC(N)C(C)C)nc2ccccc21.
What is the InChIKey of 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine?
The InChIKey is VEYXQYJJFFCYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-19-15-10-6-5-9-14(15)18-16(19)11-7-8-13(17)12(2)3/h5-6,9-10,12-13H,4,7-8,11,17H2,1-3H3.
What are the key properties of 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine?
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine has a molecular weight of 259.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine is sourced from PubChem (CID 79750125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).