[1-(3,3-dimethylbutyl)cyclooctyl]methanamine

C15H31N — CID 80603562

IUPAC[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
SMILESCC(C)(C)CCC1(CN)CCCCCCC1
InChIInChI=1S/C15H31N/c1-14(2,3)11-12-15(13-16)9-7-5-4-6-8-10-15/h4-13,16H2,1-3H3
InChIKeyFIFRNXSPWFTYHU-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.50
Rot. Bonds3

About [1-(3,3-dimethylbutyl)cyclooctyl]methanamine

[1-(3,3-dimethylbutyl)cyclooctyl]methanamine (PubChem CID 80603562) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is [1-(3,3-dimethylbutyl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
PubChem CID80603562
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
SMILESCC(C)(C)CCC1(CN)CCCCCCC1
InChIInChI=1S/C15H31N/c1-14(2,3)11-12-15(13-16)9-7-5-4-6-8-10-15/h4-13,16H2,1-3H3
InChIKeyFIFRNXSPWFTYHU-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(3,3-dimethylbutyl)cyclooctyl]methanamine 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-(3,3-dimethylbutyl)-4-methylcyclohexyl]methanamine
CID 65392807
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane
CID 66035776
[1-(3,3-dimethylbutyl)cyclobutyl]methanol
CID 66023658
2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
CID 83818947
(1-ethylcyclooctyl)methanamine
CID 80604065
1-(3,3-dimethylbutyl)cycloheptan-1-ol
CID 65147849
[1-(2-cyclohexylethyl)cycloheptyl]methanamine
CID 114193187
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
(1-pentylcyclopentyl)methanamine
CID 62725889
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutyl)cyclooctyl]methanamine?
The IUPAC name of [1-(3,3-dimethylbutyl)cyclooctyl]methanamine (CID 80603562) is [1-(3,3-dimethylbutyl)cyclooctyl]methanamine.
What is the SMILES notation for [1-(3,3-dimethylbutyl)cyclooctyl]methanamine?
The canonical SMILES for [1-(3,3-dimethylbutyl)cyclooctyl]methanamine is CC(C)(C)CCC1(CN)CCCCCCC1.
What is the InChIKey of [1-(3,3-dimethylbutyl)cyclooctyl]methanamine?
The InChIKey is FIFRNXSPWFTYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-14(2,3)11-12-15(13-16)9-7-5-4-6-8-10-15/h4-13,16H2,1-3H3.
What are the key properties of [1-(3,3-dimethylbutyl)cyclooctyl]methanamine?
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine has a molecular weight of 225.42 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutyl)cyclooctyl]methanamine is sourced from PubChem (CID 80603562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).