1-(1-methylimidazol-4-yl)nonan-1-amine

C13H25N3 — CID 107974313

IUPAC1-(1-methylimidazol-4-yl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cn(C)cn1
InChIInChI=1S/C13H25N3/c1-3-4-5-6-7-8-9-12(14)13-10-16(2)11-15-13/h10-12H,3-9,14H2,1-2H3
InChIKeyZNEZOZCRDRAJSR-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.17
Rot. Bonds8

About 1-(1-methylimidazol-4-yl)nonan-1-amine

1-(1-methylimidazol-4-yl)nonan-1-amine (PubChem CID 107974313) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)nonan-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)nonan-1-amine
PubChem CID107974313
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1-methylimidazol-4-yl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cn(C)cn1
InChIInChI=1S/C13H25N3/c1-3-4-5-6-7-8-9-12(14)13-10-16(2)11-15-13/h10-12H,3-9,14H2,1-2H3
InChIKeyZNEZOZCRDRAJSR-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.17
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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Related Compounds

4-dodecan-5-yl-1-methylimidazole
CID 138655717
1-(1-methylimidazol-4-yl)undecylhydrazine
CID 107979020
N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
CID 107974273
N-methyl-1-(1-methylimidazol-4-yl)hexan-1-amine
CID 107974330
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
1-pyrazin-2-ylnonan-1-amine
CID 62600507
1-pyrazin-2-yltridecan-1-amine
CID 62601846
1-(5-methylpyrazin-2-yl)hexan-1-amine
CID 105129918
1-(1-methylimidazol-4-yl)but-3-yn-1-amine
CID 107973346
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)nonan-1-amine?
The IUPAC name of 1-(1-methylimidazol-4-yl)nonan-1-amine (CID 107974313) is 1-(1-methylimidazol-4-yl)nonan-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)nonan-1-amine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)nonan-1-amine is CCCCCCCCC(N)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)nonan-1-amine?
The InChIKey is ZNEZOZCRDRAJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-4-5-6-7-8-9-12(14)13-10-16(2)11-15-13/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)nonan-1-amine?
1-(1-methylimidazol-4-yl)nonan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)nonan-1-amine is sourced from PubChem (CID 107974313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).