1-(1,2-dimethylimidazol-4-yl)propan-1-amine

C8H15N3 — CID 82416768

IUPAC1-(1,2-dimethylimidazol-4-yl)propan-1-amine
SMILESCCC(N)c1cn(C)c(C)n1
InChIInChI=1S/C8H15N3/c1-4-7(9)8-5-11(3)6(2)10-8/h5,7H,4,9H2,1-3H3
InChIKeyZKGYILDQRLVHJW-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.14
Rot. Bonds2

About 1-(1,2-dimethylimidazol-4-yl)propan-1-amine

1-(1,2-dimethylimidazol-4-yl)propan-1-amine (PubChem CID 82416768) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)propan-1-amine
PubChem CID82416768
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(1,2-dimethylimidazol-4-yl)propan-1-amine
SMILESCCC(N)c1cn(C)c(C)n1
InChIInChI=1S/C8H15N3/c1-4-7(9)8-5-11(3)6(2)10-8/h5,7H,4,9H2,1-3H3
InChIKeyZKGYILDQRLVHJW-UHFFFAOYSA-N
XLogP1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-4-(6-methyloctan-2-yl)imidazole;prop-1-ene
CID 178160236
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
(1S)-1-imidazo[1,2-a]pyridin-2-ylpropan-1-amine
CID 95048230
1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine
CID 82417055
4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
(1S)-1-(2,6-dimethyl-4-pyridinyl)propan-1-amine
CID 107504745
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine
CID 130671245
2-methyl-4-propan-2-yl-1-propylimidazole
CID 58592748
4-(1,1-difluoropropyl)-1,2-dimethylimidazole
CID 172586172
2-(4-benzylpiperazin-1-yl)-2-(1,2-dimethylimidazol-4-yl)ethanamine
CID 84744421
N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 115752601

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)propan-1-amine (CID 82416768) is 1-(1,2-dimethylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)propan-1-amine is CCC(N)c1cn(C)c(C)n1.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)propan-1-amine?
The InChIKey is ZKGYILDQRLVHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-7(9)8-5-11(3)6(2)10-8/h5,7H,4,9H2,1-3H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)propan-1-amine?
1-(1,2-dimethylimidazol-4-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 82416768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).