2-decyl-4-methylimidazol-1-amine

C14H27N3 — CID 154390416

IUPAC2-decyl-4-methylimidazol-1-amine
SMILESCCCCCCCCCCc1nc(C)cn1N
InChIInChI=1S/C14H27N3/c1-3-4-5-6-7-8-9-10-11-14-16-13(2)12-17(14)15/h12H,3-11,15H2,1-2H3
InChIKeyLPVWEBDPLUMCTH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.59
Rot. Bonds9

About 2-decyl-4-methylimidazol-1-amine

2-decyl-4-methylimidazol-1-amine (PubChem CID 154390416) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-decyl-4-methylimidazol-1-amine.

Molecular Properties

Compound Name2-decyl-4-methylimidazol-1-amine
PubChem CID154390416
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-decyl-4-methylimidazol-1-amine
SMILESCCCCCCCCCCc1nc(C)cn1N
InChIInChI=1S/C14H27N3/c1-3-4-5-6-7-8-9-10-11-14-16-13(2)12-17(14)15/h12H,3-11,15H2,1-2H3
InChIKeyLPVWEBDPLUMCTH-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.59
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-(2-hexyl-4-methylimidazol-1-yl)ethanamine
CID 174643052
2-ethyl-4-methylimidazol-1-amine
CID 154091770
4-methyl-2-undecylimidazole-1-carbonitrile
CID 142744068
6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 70808083
3-(4-methyl-2-undecylimidazol-1-yl)propanenitrile
CID 170847829
2-undecylimidazol-1-amine
CID 19980062
3-octyl-1,2,4-triazol-4-amine
CID 165358643
2,4-didecyl-1-methylimidazole
CID 68813551
5-undecyl-1,2,4-triazole-3,4-diamine
CID 574678
5-heptyl-1,2,4-triazole-3,4-diamine
CID 79006366
4-chloro-1,2-dihexylimidazole
CID 141131957
1,2-dimethyl-4-octylimidazole
CID 118062821

Frequently Asked Questions

What is the IUPAC name of 2-decyl-4-methylimidazol-1-amine?
The IUPAC name of 2-decyl-4-methylimidazol-1-amine (CID 154390416) is 2-decyl-4-methylimidazol-1-amine.
What is the SMILES notation for 2-decyl-4-methylimidazol-1-amine?
The canonical SMILES for 2-decyl-4-methylimidazol-1-amine is CCCCCCCCCCc1nc(C)cn1N.
What is the InChIKey of 2-decyl-4-methylimidazol-1-amine?
The InChIKey is LPVWEBDPLUMCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-4-5-6-7-8-9-10-11-14-16-13(2)12-17(14)15/h12H,3-11,15H2,1-2H3.
What are the key properties of 2-decyl-4-methylimidazol-1-amine?
2-decyl-4-methylimidazol-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-4-methylimidazol-1-amine is sourced from PubChem (CID 154390416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).