N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine

C17H27N3 — CID 43094155

IUPACN-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCCn1cnc2ccccc21
InChIInChI=1S/C17H27N3/c1-14(2)9-10-15(3)18-11-6-12-20-13-19-16-7-4-5-8-17(16)20/h4-5,7-8,13-15,18H,6,9-12H2,1-3H3
InChIKeyYEPBMOWMEGOBES-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.84
Rot. Bonds8

About N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine

N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine (PubChem CID 43094155) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine
PubChem CID43094155
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCCn1cnc2ccccc21
InChIInChI=1S/C17H27N3/c1-14(2)9-10-15(3)18-11-6-12-20-13-19-16-7-4-5-8-17(16)20/h4-5,7-8,13-15,18H,6,9-12H2,1-3H3
InChIKeyYEPBMOWMEGOBES-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine (CID 43094155) is N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine?
The InChIKey is YEPBMOWMEGOBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(2)9-10-15(3)18-11-6-12-20-13-19-16-7-4-5-8-17(16)20/h4-5,7-8,13-15,18H,6,9-12H2,1-3H3.
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine?
N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine is sourced from PubChem (CID 43094155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).