1-butyl-4-methyl-N-octylimidazol-2-amine

C16H31N3 — CID 106578853

IUPAC1-butyl-4-methyl-N-octylimidazol-2-amine
SMILESCCCCCCCCNc1nc(C)cn1CCCC
InChIInChI=1S/C16H31N3/c1-4-6-8-9-10-11-12-17-16-18-15(3)14-19(16)13-7-5-2/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyUKMUKLSBQYCINJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.76
Rot. Bonds11

About 1-butyl-4-methyl-N-octylimidazol-2-amine

1-butyl-4-methyl-N-octylimidazol-2-amine (PubChem CID 106578853) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-octylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-octylimidazol-2-amine
PubChem CID106578853
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-butyl-4-methyl-N-octylimidazol-2-amine
SMILESCCCCCCCCNc1nc(C)cn1CCCC
InChIInChI=1S/C16H31N3/c1-4-6-8-9-10-11-12-17-16-18-15(3)14-19(16)13-7-5-2/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyUKMUKLSBQYCINJ-UHFFFAOYSA-N
XLogP4.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.76
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-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571787
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine
CID 106569258
1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
CID 106570045
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
CID 106579279

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-octylimidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-octylimidazol-2-amine (CID 106578853) is 1-butyl-4-methyl-N-octylimidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-octylimidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-octylimidazol-2-amine is CCCCCCCCNc1nc(C)cn1CCCC.
What is the InChIKey of 1-butyl-4-methyl-N-octylimidazol-2-amine?
The InChIKey is UKMUKLSBQYCINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-6-8-9-10-11-12-17-16-18-15(3)14-19(16)13-7-5-2/h14H,4-13H2,1-3H3,(H,17,18).
What are the key properties of 1-butyl-4-methyl-N-octylimidazol-2-amine?
1-butyl-4-methyl-N-octylimidazol-2-amine has a molecular weight of 265.44 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-octylimidazol-2-amine is sourced from PubChem (CID 106578853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).