(1-butylimidazol-4-yl)methanamine

C8H15N3 — CID 82467842

IUPAC(1-butylimidazol-4-yl)methanamine
SMILESCCCCn1cnc(CN)c1
InChIInChI=1S/C8H15N3/c1-2-3-4-11-6-8(5-9)10-7-11/h6-7H,2-5,9H2,1H3
InChIKeyTUMLBWQLXYTQOY-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.14
Rot. Bonds4

About (1-butylimidazol-4-yl)methanamine

(1-butylimidazol-4-yl)methanamine (PubChem CID 82467842) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1-butylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-butylimidazol-4-yl)methanamine
PubChem CID82467842
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1-butylimidazol-4-yl)methanamine
SMILESCCCCn1cnc(CN)c1
InChIInChI=1S/C8H15N3/c1-2-3-4-11-6-8(5-9)10-7-11/h6-7H,2-5,9H2,1H3
InChIKeyTUMLBWQLXYTQOY-UHFFFAOYSA-N
XLogP1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (1-butylimidazol-4-yl)methanamine?
The IUPAC name of (1-butylimidazol-4-yl)methanamine (CID 82467842) is (1-butylimidazol-4-yl)methanamine.
What is the SMILES notation for (1-butylimidazol-4-yl)methanamine?
The canonical SMILES for (1-butylimidazol-4-yl)methanamine is CCCCn1cnc(CN)c1.
What is the InChIKey of (1-butylimidazol-4-yl)methanamine?
The InChIKey is TUMLBWQLXYTQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-4-11-6-8(5-9)10-7-11/h6-7H,2-5,9H2,1H3.
What are the key properties of (1-butylimidazol-4-yl)methanamine?
(1-butylimidazol-4-yl)methanamine has a molecular weight of 153.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylimidazol-4-yl)methanamine is sourced from PubChem (CID 82467842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).