6-(2-ethylbenzimidazol-1-yl)hexan-2-amine

C15H23N3 — CID 63107097

IUPAC6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
SMILESCCc1nc2ccccc2n1CCCCC(C)N
InChIInChI=1S/C15H23N3/c1-3-15-17-13-9-4-5-10-14(13)18(15)11-7-6-8-12(2)16/h4-5,9-10,12H,3,6-8,11,16H2,1-2H3
InChIKeyRDPJFLYNNKTJGP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds6

About 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine

6-(2-ethylbenzimidazol-1-yl)hexan-2-amine (PubChem CID 63107097) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine.

Molecular Properties

Compound Name6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
PubChem CID63107097
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
SMILESCCc1nc2ccccc2n1CCCCC(C)N
InChIInChI=1S/C15H23N3/c1-3-15-17-13-9-4-5-10-14(13)18(15)11-7-6-8-12(2)16/h4-5,9-10,12H,3,6-8,11,16H2,1-2H3
InChIKeyRDPJFLYNNKTJGP-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63106183
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
CID 64808784
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
CID 122190781
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine?
The IUPAC name of 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine (CID 63107097) is 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine.
What is the SMILES notation for 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine?
The canonical SMILES for 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine is CCc1nc2ccccc2n1CCCCC(C)N.
What is the InChIKey of 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine?
The InChIKey is RDPJFLYNNKTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-15-17-13-9-4-5-10-14(13)18(15)11-7-6-8-12(2)16/h4-5,9-10,12H,3,6-8,11,16H2,1-2H3.
What are the key properties of 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine?
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbenzimidazol-1-yl)hexan-2-amine is sourced from PubChem (CID 63107097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).