(3-hexyl-2-methylimidazol-4-yl)methanamine

C11H21N3 — CID 65172812

IUPAC(3-hexyl-2-methylimidazol-4-yl)methanamine
SMILESCCCCCCn1c(CN)cnc1C
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-14-10(2)13-9-11(14)8-12/h9H,3-8,12H2,1-2H3
InChIKeyUPXUIYFXHOBAPP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds6

About (3-hexyl-2-methylimidazol-4-yl)methanamine

(3-hexyl-2-methylimidazol-4-yl)methanamine (PubChem CID 65172812) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (3-hexyl-2-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-hexyl-2-methylimidazol-4-yl)methanamine
PubChem CID65172812
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(3-hexyl-2-methylimidazol-4-yl)methanamine
SMILESCCCCCCn1c(CN)cnc1C
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-14-10(2)13-9-11(14)8-12/h9H,3-8,12H2,1-2H3
InChIKeyUPXUIYFXHOBAPP-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 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 ≤ 52.23
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 (3-hexyl-2-methylimidazol-4-yl)methanamine?
The IUPAC name of (3-hexyl-2-methylimidazol-4-yl)methanamine (CID 65172812) is (3-hexyl-2-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (3-hexyl-2-methylimidazol-4-yl)methanamine?
The canonical SMILES for (3-hexyl-2-methylimidazol-4-yl)methanamine is CCCCCCn1c(CN)cnc1C.
What is the InChIKey of (3-hexyl-2-methylimidazol-4-yl)methanamine?
The InChIKey is UPXUIYFXHOBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-6-7-14-10(2)13-9-11(14)8-12/h9H,3-8,12H2,1-2H3.
What are the key properties of (3-hexyl-2-methylimidazol-4-yl)methanamine?
(3-hexyl-2-methylimidazol-4-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexyl-2-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 65172812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).