N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine

C17H27N3 — CID 61020511

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
SMILESCCn1c(CNC(C)CCC(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3/c1-5-20-16-9-7-6-8-15(16)19-17(20)12-18-14(4)11-10-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyQCWFVHHJHUQTCQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.97
Rot. Bonds7

About N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine (PubChem CID 61020511) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
PubChem CID61020511
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
SMILESCCn1c(CNC(C)CCC(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3/c1-5-20-16-9-7-6-8-15(16)19-17(20)12-18-14(4)11-10-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyQCWFVHHJHUQTCQ-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221729
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
CID 43103364
3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile
CID 55101796
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine
CID 51087630

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine (CID 61020511) is N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine is CCn1c(CNC(C)CCC(C)C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine?
The InChIKey is QCWFVHHJHUQTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-20-16-9-7-6-8-15(16)19-17(20)12-18-14(4)11-10-13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine is sourced from PubChem (CID 61020511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).