3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine

C9H17N3 — CID 116876985

IUPAC3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine
SMILESCCc1cnc(C(C)CCN)[nH]1
InChIInChI=1S/C9H17N3/c1-3-8-6-11-9(12-8)7(2)4-5-10/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyKXBYXLNAQXKLSI-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.42
Rot. Bonds4

About 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine

3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine (PubChem CID 116876985) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine
PubChem CID116876985
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine
SMILESCCc1cnc(C(C)CCN)[nH]1
InChIInChI=1S/C9H17N3/c1-3-8-6-11-9(12-8)7(2)4-5-10/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyKXBYXLNAQXKLSI-UHFFFAOYSA-N
XLogP1.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine?
The IUPAC name of 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine (CID 116876985) is 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine is CCc1cnc(C(C)CCN)[nH]1.
What is the InChIKey of 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine?
The InChIKey is KXBYXLNAQXKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8-6-11-9(12-8)7(2)4-5-10/h6-7H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine?
3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine is sourced from PubChem (CID 116876985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).