1-cyclooctyl-4-methyl-N-propylimidazol-2-amine

C15H27N3 — CID 106557157

IUPAC1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C1CCCCCCC1
InChIInChI=1S/C15H27N3/c1-3-11-16-15-17-13(2)12-18(15)14-9-7-5-4-6-8-10-14/h12,14H,3-11H2,1-2H3,(H,16,17)
InChIKeyFPSYLCNIAIJFOC-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.30
Rot. Bonds4

About 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine

1-cyclooctyl-4-methyl-N-propylimidazol-2-amine (PubChem CID 106557157) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
PubChem CID106557157
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C1CCCCCCC1
InChIInChI=1S/C15H27N3/c1-3-11-16-15-17-13(2)12-18(15)14-9-7-5-4-6-8-10-14/h12,14H,3-11H2,1-2H3,(H,16,17)
InChIKeyFPSYLCNIAIJFOC-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclohexyl-4-methyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563445
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine
CID 106574939
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine (CID 106557157) is 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine?
The InChIKey is FPSYLCNIAIJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-11-16-15-17-13(2)12-18(15)14-9-7-5-4-6-8-10-14/h12,14H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine?
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106557157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).