1-dodecyl-N-methylimidazol-2-amine

C16H31N3 — CID 57016020

IUPAC1-dodecyl-N-methylimidazol-2-amine
SMILESCCCCCCCCCCCCn1ccnc1NC
InChIInChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-16(19)17-2/h13,15H,3-12,14H2,1-2H3,(H,17,18)
InChIKeyRAANBANPURBVFW-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.85
Rot. Bonds12

About 1-dodecyl-N-methylimidazol-2-amine

1-dodecyl-N-methylimidazol-2-amine (PubChem CID 57016020) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-dodecyl-N-methylimidazol-2-amine.

Molecular Properties

Compound Name1-dodecyl-N-methylimidazol-2-amine
PubChem CID57016020
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-dodecyl-N-methylimidazol-2-amine
SMILESCCCCCCCCCCCCn1ccnc1NC
InChIInChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-16(19)17-2/h13,15H,3-12,14H2,1-2H3,(H,17,18)
InChIKeyRAANBANPURBVFW-UHFFFAOYSA-N
XLogP4.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.85
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

N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-octyl-N-phenylimidazol-2-amine
CID 106578848
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
1,2-di(pentadecyl)imidazole
CID 69388452
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-N-methylimidazol-2-amine?
The IUPAC name of 1-dodecyl-N-methylimidazol-2-amine (CID 57016020) is 1-dodecyl-N-methylimidazol-2-amine.
What is the SMILES notation for 1-dodecyl-N-methylimidazol-2-amine?
The canonical SMILES for 1-dodecyl-N-methylimidazol-2-amine is CCCCCCCCCCCCn1ccnc1NC.
What is the InChIKey of 1-dodecyl-N-methylimidazol-2-amine?
The InChIKey is RAANBANPURBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-16(19)17-2/h13,15H,3-12,14H2,1-2H3,(H,17,18).
What are the key properties of 1-dodecyl-N-methylimidazol-2-amine?
1-dodecyl-N-methylimidazol-2-amine has a molecular weight of 265.44 g/mol, XLogP of 4.85, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-N-methylimidazol-2-amine is sourced from PubChem (CID 57016020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).