1-(3-butylimidazol-4-yl)ethanamine

C9H17N3 — CID 114702792

IUPAC1-(3-butylimidazol-4-yl)ethanamine
SMILESCCCCn1cncc1C(C)N
InChIInChI=1S/C9H17N3/c1-3-4-5-12-7-11-6-9(12)8(2)10/h6-8H,3-5,10H2,1-2H3
InChIKeyDHCJCGRGPPBAKX-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.70
Rot. Bonds4

About 1-(3-butylimidazol-4-yl)ethanamine

1-(3-butylimidazol-4-yl)ethanamine (PubChem CID 114702792) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(3-butylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-butylimidazol-4-yl)ethanamine
PubChem CID114702792
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(3-butylimidazol-4-yl)ethanamine
SMILESCCCCn1cncc1C(C)N
InChIInChI=1S/C9H17N3/c1-3-4-5-12-7-11-6-9(12)8(2)10/h6-8H,3-5,10H2,1-2H3
InChIKeyDHCJCGRGPPBAKX-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
CID 104942754
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-(3-hex-5-ynylimidazol-4-yl)ethanamine
CID 106212066
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
CID 114707019
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
(1R)-1-(3-pent-3-ynylimidazol-4-yl)ethanamine
CID 104943939
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036

Frequently Asked Questions

What is the IUPAC name of 1-(3-butylimidazol-4-yl)ethanamine?
The IUPAC name of 1-(3-butylimidazol-4-yl)ethanamine (CID 114702792) is 1-(3-butylimidazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-butylimidazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-butylimidazol-4-yl)ethanamine is CCCCn1cncc1C(C)N.
What is the InChIKey of 1-(3-butylimidazol-4-yl)ethanamine?
The InChIKey is DHCJCGRGPPBAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-5-12-7-11-6-9(12)8(2)10/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 1-(3-butylimidazol-4-yl)ethanamine?
1-(3-butylimidazol-4-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butylimidazol-4-yl)ethanamine is sourced from PubChem (CID 114702792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).