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

C11H21N3 — CID 62350364

IUPAC1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine
SMILESCCCC(Cn1cnc(C)c1C)NC
InChIInChI=1S/C11H21N3/c1-5-6-11(12-4)7-14-8-13-9(2)10(14)3/h8,11-12H,5-7H2,1-4H3
InChIKeyPEYHSSIVWSWNJN-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.89
Rot. Bonds5

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

1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine (PubChem CID 62350364) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine
PubChem CID62350364
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine
SMILESCCCC(Cn1cnc(C)c1C)NC
InChIInChI=1S/C11H21N3/c1-5-6-11(12-4)7-14-8-13-9(2)10(14)3/h8,11-12H,5-7H2,1-4H3
InChIKeyPEYHSSIVWSWNJN-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine?
The IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine (CID 62350364) is 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine?
The canonical SMILES for 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine is CCCC(Cn1cnc(C)c1C)NC.
What is the InChIKey of 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine?
The InChIKey is PEYHSSIVWSWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-11(12-4)7-14-8-13-9(2)10(14)3/h8,11-12H,5-7H2,1-4H3.
What are the key properties of 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine?
1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 62350364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).