2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine

C11H19N3 — CID 79322815

IUPAC2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine
SMILESCCCn1cncc1C=C(CC)CN
InChIInChI=1S/C11H19N3/c1-3-5-14-9-13-8-11(14)6-10(4-2)7-12/h6,8-9H,3-5,7,12H2,1-2H3
InChIKeyLJXDZXJDZIVQLQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.05
Rot. Bonds5

About 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine

2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine (PubChem CID 79322815) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine
PubChem CID79322815
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine
SMILESCCCn1cncc1C=C(CC)CN
InChIInChI=1S/C11H19N3/c1-3-5-14-9-13-8-11(14)6-10(4-2)7-12/h6,8-9H,3-5,7,12H2,1-2H3
InChIKeyLJXDZXJDZIVQLQ-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine?
The IUPAC name of 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine (CID 79322815) is 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine.
What is the SMILES notation for 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine?
The canonical SMILES for 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine is CCCn1cncc1C=C(CC)CN.
What is the InChIKey of 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine?
The InChIKey is LJXDZXJDZIVQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-5-14-9-13-8-11(14)6-10(4-2)7-12/h6,8-9H,3-5,7,12H2,1-2H3.
What are the key properties of 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine?
2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79322815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).