1-(3-ethylimidazol-4-yl)butan-2-amine

C9H17N3 — CID 66132539

IUPAC1-(3-ethylimidazol-4-yl)butan-2-amine
SMILESCCC(N)Cc1cncn1CC
InChIInChI=1S/C9H17N3/c1-3-8(10)5-9-6-11-7-12(9)4-2/h6-8H,3-5,10H2,1-2H3
InChIKeyFJDMTTWJFNYNTF-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.18
Rot. Bonds4

About 1-(3-ethylimidazol-4-yl)butan-2-amine

1-(3-ethylimidazol-4-yl)butan-2-amine (PubChem CID 66132539) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)butan-2-amine
PubChem CID66132539
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(3-ethylimidazol-4-yl)butan-2-amine
SMILESCCC(N)Cc1cncn1CC
InChIInChI=1S/C9H17N3/c1-3-8(10)5-9-6-11-7-12(9)4-2/h6-8H,3-5,10H2,1-2H3
InChIKeyFJDMTTWJFNYNTF-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylimidazol-4-yl)butan-2-amine
CID 55254956
1-(3-ethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192905
3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine
CID 115347460
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
2-(3-ethylimidazol-4-yl)acetonitrile
CID 84648252
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
2-amino-1-(3-ethylimidazol-4-yl)butan-1-ol
CID 66133374
2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide
CID 66135433
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 66132621
N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 66135498
2-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrazol-3-amine
CID 66133252

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)butan-2-amine?
The IUPAC name of 1-(3-ethylimidazol-4-yl)butan-2-amine (CID 66132539) is 1-(3-ethylimidazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)butan-2-amine is CCC(N)Cc1cncn1CC.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)butan-2-amine?
The InChIKey is FJDMTTWJFNYNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8(10)5-9-6-11-7-12(9)4-2/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)butan-2-amine?
1-(3-ethylimidazol-4-yl)butan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)butan-2-amine is sourced from PubChem (CID 66132539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).