4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine

C16H31N3 — CID 106564935

IUPAC4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine
SMILESCCCCCCC(C)Nc1nc(C)cn1CC(C)C
InChIInChI=1S/C16H31N3/c1-6-7-8-9-10-14(4)17-16-18-15(5)12-19(16)11-13(2)3/h12-14H,6-11H2,1-5H3,(H,17,18)
InChIKeyMKRPBEVBQXOIPP-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.62
Rot. Bonds9

About 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine

4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine (PubChem CID 106564935) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine
PubChem CID106564935
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine
SMILESCCCCCCC(C)Nc1nc(C)cn1CC(C)C
InChIInChI=1S/C16H31N3/c1-6-7-8-9-10-14(4)17-16-18-15(5)12-19(16)11-13(2)3/h12-14H,6-11H2,1-5H3,(H,17,18)
InChIKeyMKRPBEVBQXOIPP-UHFFFAOYSA-N
XLogP4.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.62
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-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106568866
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
4-methyl-1-(2-methylpropyl)-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106569158
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
4-methyl-1-(2-methylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106570359
N-nonan-2-yl-1-propan-2-ylpyrazol-4-amine
CID 63478238
4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
CID 106581346
1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106568882
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
1-ethyl-N-heptan-2-ylimidazol-2-amine
CID 62137318

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine (CID 106564935) is 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine is CCCCCCC(C)Nc1nc(C)cn1CC(C)C.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine?
The InChIKey is MKRPBEVBQXOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-7-8-9-10-14(4)17-16-18-15(5)12-19(16)11-13(2)3/h12-14H,6-11H2,1-5H3,(H,17,18).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine has a molecular weight of 265.44 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-N-octan-2-ylimidazol-2-amine is sourced from PubChem (CID 106564935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).