3-(2,3-dimethylimidazol-4-yl)butan-1-amine

C9H17N3 — CID 82597545

IUPAC3-(2,3-dimethylimidazol-4-yl)butan-1-amine
SMILESCc1ncc(C(C)CCN)n1C
InChIInChI=1S/C9H17N3/c1-7(4-5-10)9-6-11-8(2)12(9)3/h6-7H,4-5,10H2,1-3H3
InChIKeyMLMQZZRVYMGWOZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.18
Rot. Bonds3

About 3-(2,3-dimethylimidazol-4-yl)butan-1-amine

3-(2,3-dimethylimidazol-4-yl)butan-1-amine (PubChem CID 82597545) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(2,3-dimethylimidazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylimidazol-4-yl)butan-1-amine
PubChem CID82597545
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(2,3-dimethylimidazol-4-yl)butan-1-amine
SMILESCc1ncc(C(C)CCN)n1C
InChIInChI=1S/C9H17N3/c1-7(4-5-10)9-6-11-8(2)12(9)3/h6-7H,4-5,10H2,1-3H3
InChIKeyMLMQZZRVYMGWOZ-UHFFFAOYSA-N
XLogP1.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)butan-1-amine
CID 84812323
(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 114283429
(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine
CID 130518983
3-(1-methylpyrrol-2-yl)butan-1-amine
CID 82595087
3-(2,3-dimethylimidazol-4-yl)propan-1-amine
CID 82416793
2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid
CID 82412586
1-(2,3-dimethylimidazol-4-yl)propan-2-amine
CID 58319073
(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine
CID 114283568
3-(3-methylpyrazin-2-yl)butan-1-amine
CID 82596948
2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile
CID 84739885
(2,3-dimethylimidazol-4-yl)-(furan-3-yl)methanamine
CID 130518968
(2,3-dimethylimidazol-4-yl)-(2,3-dimethylphenyl)methanamine
CID 114283525

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylimidazol-4-yl)butan-1-amine?
The IUPAC name of 3-(2,3-dimethylimidazol-4-yl)butan-1-amine (CID 82597545) is 3-(2,3-dimethylimidazol-4-yl)butan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylimidazol-4-yl)butan-1-amine?
The canonical SMILES for 3-(2,3-dimethylimidazol-4-yl)butan-1-amine is Cc1ncc(C(C)CCN)n1C.
What is the InChIKey of 3-(2,3-dimethylimidazol-4-yl)butan-1-amine?
The InChIKey is MLMQZZRVYMGWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(4-5-10)9-6-11-8(2)12(9)3/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 3-(2,3-dimethylimidazol-4-yl)butan-1-amine?
3-(2,3-dimethylimidazol-4-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylimidazol-4-yl)butan-1-amine is sourced from PubChem (CID 82597545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).