1-methyl-3-nonyl-2H-imidazol-2-amine

C13H27N3 — CID 174918216

IUPAC1-methyl-3-nonyl-2H-imidazol-2-amine
SMILESCCCCCCCCCN1C=CN(C)C1N
InChIInChI=1S/C13H27N3/c1-3-4-5-6-7-8-9-10-16-12-11-15(2)13(16)14/h11-13H,3-10,14H2,1-2H3
InChIKeyZXHKAAZRXYBPBV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.70
Rot. Bonds8

About 1-methyl-3-nonyl-2H-imidazol-2-amine

1-methyl-3-nonyl-2H-imidazol-2-amine (PubChem CID 174918216) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methyl-3-nonyl-2H-imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-3-nonyl-2H-imidazol-2-amine
PubChem CID174918216
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-methyl-3-nonyl-2H-imidazol-2-amine
SMILESCCCCCCCCCN1C=CN(C)C1N
InChIInChI=1S/C13H27N3/c1-3-4-5-6-7-8-9-10-16-12-11-15(2)13(16)14/h11-13H,3-10,14H2,1-2H3
InChIKeyZXHKAAZRXYBPBV-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.70
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

1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702
1,2-dimethyl-3-undecyl-2H-imidazole
CID 69386948
1,2-dimethyl-3-pentadecyl-2H-imidazole
CID 69388793
1-hexyl-3-methyl-2H-imidazol-2-ol
CID 175378388
1-methyl-2,3-di(nonyl)-2H-imidazole
CID 69396034
2-butyl-1-methyl-3-octyl-2H-imidazole
CID 69390542
1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
CID 69389602
2-heptyl-1-methyl-3-nonadecyl-2H-imidazole
CID 69392391
2-butyl-1-dodecyl-3-methyl-2H-imidazole
CID 69393708
2-heptyl-1-methyl-3-pentyl-2H-imidazole
CID 69387496
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nonyl-2H-imidazol-2-amine?
The IUPAC name of 1-methyl-3-nonyl-2H-imidazol-2-amine (CID 174918216) is 1-methyl-3-nonyl-2H-imidazol-2-amine.
What is the SMILES notation for 1-methyl-3-nonyl-2H-imidazol-2-amine?
The canonical SMILES for 1-methyl-3-nonyl-2H-imidazol-2-amine is CCCCCCCCCN1C=CN(C)C1N.
What is the InChIKey of 1-methyl-3-nonyl-2H-imidazol-2-amine?
The InChIKey is ZXHKAAZRXYBPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-4-5-6-7-8-9-10-16-12-11-15(2)13(16)14/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-methyl-3-nonyl-2H-imidazol-2-amine?
1-methyl-3-nonyl-2H-imidazol-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nonyl-2H-imidazol-2-amine is sourced from PubChem (CID 174918216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).