1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine

C15H29N3 — CID 114207983

IUPAC1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1C1CCCCCCC1
InChIInChI=1S/C15H29N3/c1-3-12(2)18-14(11-17-15(18)16)13-9-7-5-4-6-8-10-13/h12-14H,3-11H2,1-2H3,(H2,16,17)
InChIKeyOSBYSZWFBPDBFQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.14
Rot. Bonds3

About 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine

1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine (PubChem CID 114207983) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine
PubChem CID114207983
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1C1CCCCCCC1
InChIInChI=1S/C15H29N3/c1-3-12(2)18-14(11-17-15(18)16)13-9-7-5-4-6-8-10-13/h12-14H,3-11H2,1-2H3,(H2,16,17)
InChIKeyOSBYSZWFBPDBFQ-UHFFFAOYSA-N
XLogP3.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine
CID 79514063
5-cycloheptyl-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 79504714
(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480
5-cyclohexyl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497073
1-butan-2-yl-5-(5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79514595
1-ethyl-5-(3-methylcyclohexyl)-4,5-dihydroimidazol-2-amine
CID 79509397
5-cyclopentyl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496893
1-butan-2-yl-5-(3-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 79514744
1-butan-2-yl-5-(4-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79514820
1-butan-2-yl-5-(2,3-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79514209
1-butan-2-yl-5-(2-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79514508
3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol
CID 79505769

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine (CID 114207983) is 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1C1CCCCCCC1.
What is the InChIKey of 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine?
The InChIKey is OSBYSZWFBPDBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-12(2)18-14(11-17-15(18)16)13-9-7-5-4-6-8-10-13/h12-14H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-cyclooctyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114207983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).