6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine

C12H23N3 — CID 62350906

IUPAC6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
SMILESCNC(C)CCCCn1cnc(C)c1C
InChIInChI=1S/C12H23N3/c1-10(13-4)7-5-6-8-15-9-14-11(2)12(15)3/h9-10,13H,5-8H2,1-4H3
InChIKeySQZXFOZPWWZKMN-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.28
Rot. Bonds6

About 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine

6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine (PubChem CID 62350906) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
PubChem CID62350906
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
SMILESCNC(C)CCCCn1cnc(C)c1C
InChIInChI=1S/C12H23N3/c1-10(13-4)7-5-6-8-15-9-14-11(2)12(15)3/h9-10,13H,5-8H2,1-4H3
InChIKeySQZXFOZPWWZKMN-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.28
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 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine?
The IUPAC name of 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine (CID 62350906) is 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine.
What is the SMILES notation for 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine?
The canonical SMILES for 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine is CNC(C)CCCCn1cnc(C)c1C.
What is the InChIKey of 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine?
The InChIKey is SQZXFOZPWWZKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(13-4)7-5-6-8-15-9-14-11(2)12(15)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine?
6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine is sourced from PubChem (CID 62350906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).