N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine

C16H29N3 — CID 106574582

IUPACN-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C1CCC(C)C(C)C1
InChIInChI=1S/C16H29N3/c1-5-6-9-17-16-18-14(4)11-19(16)15-8-7-12(2)13(3)10-15/h11-13,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyJYZVUNPJERARMT-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.40
Rot. Bonds5

About N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine

N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine (PubChem CID 106574582) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
PubChem CID106574582
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C1CCC(C)C(C)C1
InChIInChI=1S/C16H29N3/c1-5-6-9-17-16-18-14(4)11-19(16)15-8-7-12(2)13(3)10-15/h11-13,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyJYZVUNPJERARMT-UHFFFAOYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.40
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-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
N-butyl-4-methyl-1-(2-methyloxolan-3-yl)imidazol-2-amine
CID 106579015
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
N-butyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylimidazol-2-amine
CID 106566157
N-(3-methoxypropyl)-4-methyl-1-(4-propylcyclohexyl)imidazol-2-amine
CID 106566514
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571745
1-cyclopropyl-4-methyl-N-(2-methylcyclopropyl)imidazol-2-amine
CID 106571172
N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide
CID 106562369
1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine
CID 106565967

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine (CID 106574582) is N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1C1CCC(C)C(C)C1.
What is the InChIKey of N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine?
The InChIKey is JYZVUNPJERARMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-6-9-17-16-18-14(4)11-19(16)15-8-7-12(2)13(3)10-15/h11-13,15H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine?
N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106574582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).