1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine

C14H25N — CID 103276186

IUPAC1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCC2CCC2)C1
InChIInChI=1S/C14H25N/c1-11-6-12(2)8-14(7-11)10-15-9-13-4-3-5-13/h6,11,13-15H,3-5,7-10H2,1-2H3
InChIKeyHWPWKPZTQYESLF-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.37
Rot. Bonds4

About 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine

1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine (PubChem CID 103276186) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
PubChem CID103276186
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCC2CCC2)C1
InChIInChI=1S/C14H25N/c1-11-6-12(2)8-14(7-11)10-15-9-13-4-3-5-13/h6,11,13-15H,3-5,7-10H2,1-2H3
InChIKeyHWPWKPZTQYESLF-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methoxypropan-2-ol
CID 103276814
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine
CID 103276026
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]ethanesulfonamide
CID 103276204
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103277023
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 103277136
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103276855

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine (CID 103276186) is 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine is CC1=CC(C)CC(CNCC2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine?
The InChIKey is HWPWKPZTQYESLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11-6-12(2)8-14(7-11)10-15-9-13-4-3-5-13/h6,11,13-15H,3-5,7-10H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine?
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine has a molecular weight of 207.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine is sourced from PubChem (CID 103276186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).