1-imidazol-1-ylpentan-2-amine

C8H15N3 — CID 62041882

IUPAC1-imidazol-1-ylpentan-2-amine
SMILESCCCC(N)Cn1ccnc1
InChIInChI=1S/C8H15N3/c1-2-3-8(9)6-11-5-4-10-7-11/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyCXEXVULHSFUWLF-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.01
Rot. Bonds4

About 1-imidazol-1-ylpentan-2-amine

1-imidazol-1-ylpentan-2-amine (PubChem CID 62041882) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-imidazol-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-ylpentan-2-amine
PubChem CID62041882
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-imidazol-1-ylpentan-2-amine
SMILESCCCC(N)Cn1ccnc1
InChIInChI=1S/C8H15N3/c1-2-3-8(9)6-11-5-4-10-7-11/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyCXEXVULHSFUWLF-UHFFFAOYSA-N
XLogP1.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
1-(2-methylbutyl)imidazole
CID 59161437
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
1-(2,3-dimethylpentyl)imidazole
CID 91321632
(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
CID 134251043
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
CID 57057005
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
1-ethylimidazole;hydroiodide
CID 66751695

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylpentan-2-amine?
The IUPAC name of 1-imidazol-1-ylpentan-2-amine (CID 62041882) is 1-imidazol-1-ylpentan-2-amine.
What is the SMILES notation for 1-imidazol-1-ylpentan-2-amine?
The canonical SMILES for 1-imidazol-1-ylpentan-2-amine is CCCC(N)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-ylpentan-2-amine?
The InChIKey is CXEXVULHSFUWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-8(9)6-11-5-4-10-7-11/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 1-imidazol-1-ylpentan-2-amine?
1-imidazol-1-ylpentan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylpentan-2-amine is sourced from PubChem (CID 62041882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).