N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine

C17H27N3 — CID 105007516

IUPACN-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine
SMILESCCCCCCC(Cc1nc2ccccc2n1C)NC
InChIInChI=1S/C17H27N3/c1-4-5-6-7-10-14(18-2)13-17-19-15-11-8-9-12-16(15)20(17)3/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3
InChIKeyMTEYBAXRTCEVRM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.67
Rot. Bonds8

About N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine

N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine (PubChem CID 105007516) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine
PubChem CID105007516
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine
SMILESCCCCCCC(Cc1nc2ccccc2n1C)NC
InChIInChI=1S/C17H27N3/c1-4-5-6-7-10-14(18-2)13-17-19-15-11-8-9-12-16(15)20(17)3/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3
InChIKeyMTEYBAXRTCEVRM-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.67
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

5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79751232
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
CID 79750942
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750625
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105164919
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105007618
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine?
The IUPAC name of N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine (CID 105007516) is N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine is CCCCCCC(Cc1nc2ccccc2n1C)NC.
What is the InChIKey of N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine?
The InChIKey is MTEYBAXRTCEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-5-6-7-10-14(18-2)13-17-19-15-11-8-9-12-16(15)20(17)3/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine?
N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine is sourced from PubChem (CID 105007516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).