N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine

C12H23N3 — CID 62566217

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCn1cnc(C)c1C
InChIInChI=1S/C12H23N3/c1-5-12(6-2)13-7-8-15-9-14-10(3)11(15)4/h9,12-13H,5-8H2,1-4H3
InChIKeyGVESMBZYJGOLCS-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine (PubChem CID 62566217) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine
PubChem CID62566217
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCn1cnc(C)c1C
InChIInChI=1S/C12H23N3/c1-5-12(6-2)13-7-8-15-9-14-10(3)11(15)4/h9,12-13H,5-8H2,1-4H3
InChIKeyGVESMBZYJGOLCS-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine (CID 62566217) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine is CCC(CC)NCCn1cnc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine?
The InChIKey is GVESMBZYJGOLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-12(6-2)13-7-8-15-9-14-10(3)11(15)4/h9,12-13H,5-8H2,1-4H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-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 N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 62566217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).