2-(1-methylimidazol-2-yl)pentan-1-amine

C9H17N3 — CID 116834928

IUPAC2-(1-methylimidazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nccn1C
InChIInChI=1S/C9H17N3/c1-3-4-8(7-10)9-11-5-6-12(9)2/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyOEOIPMFORALDEQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.26
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)pentan-1-amine

2-(1-methylimidazol-2-yl)pentan-1-amine (PubChem CID 116834928) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)pentan-1-amine
PubChem CID116834928
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(1-methylimidazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nccn1C
InChIInChI=1S/C9H17N3/c1-3-4-8(7-10)9-11-5-6-12(9)2/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyOEOIPMFORALDEQ-UHFFFAOYSA-N
XLogP1.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-pentan-3-ylimidazole
CID 89261277
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1-methyl-2-nonan-3-ylimidazole
CID 138628571
1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
CID 115799892
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
1-(1-methylimidazol-2-yl)butane-1-sulfonic acid
CID 118491862
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
1-(1-methylimidazol-2-yl)heptylhydrazine
CID 105258177
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 63339478

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)pentan-1-amine?
The IUPAC name of 2-(1-methylimidazol-2-yl)pentan-1-amine (CID 116834928) is 2-(1-methylimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)pentan-1-amine is CCCC(CN)c1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)pentan-1-amine?
The InChIKey is OEOIPMFORALDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-8(7-10)9-11-5-6-12(9)2/h5-6,8H,3-4,7,10H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)pentan-1-amine?
2-(1-methylimidazol-2-yl)pentan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 116834928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).