1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine

C16H29N3 — CID 106573799

IUPAC1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
SMILESCCCCCCNc1nc(C)cn1C1CCCCC1
InChIInChI=1S/C16H29N3/c1-3-4-5-9-12-17-16-18-14(2)13-19(16)15-10-7-6-8-11-15/h13,15H,3-12H2,1-2H3,(H,17,18)
InChIKeyUZIZEBACUZAZDN-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.69
Rot. Bonds7

About 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine

1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine (PubChem CID 106573799) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
PubChem CID106573799
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
SMILESCCCCCCNc1nc(C)cn1C1CCCCC1
InChIInChI=1S/C16H29N3/c1-3-4-5-9-12-17-16-18-14(2)13-19(16)15-10-7-6-8-11-15/h13,15H,3-12H2,1-2H3,(H,17,18)
InChIKeyUZIZEBACUZAZDN-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.69
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-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565750
1-cyclohexyl-4-methyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563445
N-butyl-1-(3,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
CID 106574582
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine (CID 106573799) is 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine is CCCCCCNc1nc(C)cn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine?
The InChIKey is UZIZEBACUZAZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-4-5-9-12-17-16-18-14(2)13-19(16)15-10-7-6-8-11-15/h13,15H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine?
1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106573799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).