2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine

C11H21N3 — CID 62446855

IUPAC2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)n1ccnc1C
InChIInChI=1S/C11H21N3/c1-4-6-12-9-11(5-2)14-8-7-13-10(14)3/h7-8,11-12H,4-6,9H2,1-3H3
InChIKeyOEAGYRGNCXTWKM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine

2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine (PubChem CID 62446855) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine
PubChem CID62446855
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)n1ccnc1C
InChIInChI=1S/C11H21N3/c1-4-6-12-9-11(5-2)14-8-7-13-10(14)3/h7-8,11-12H,4-6,9H2,1-3H3
InChIKeyOEAGYRGNCXTWKM-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine (CID 62446855) is 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine is CCCNCC(CC)n1ccnc1C.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine?
The InChIKey is OEAGYRGNCXTWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-12-9-11(5-2)14-8-7-13-10(14)3/h7-8,11-12H,4-6,9H2,1-3H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine?
2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 62446855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).