1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine

C18H27N — CID 106899565

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2CC(C)=CC(C)C2)cc1
InChIInChI=1S/C18H27N/c1-4-16-5-7-17(8-6-16)12-19-13-18-10-14(2)9-15(3)11-18/h5-9,14,18-19H,4,10-13H2,1-3H3
InChIKeyFYWBPRGVTJTKJV-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.33
Rot. Bonds5

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine (PubChem CID 106899565) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
PubChem CID106899565
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2CC(C)=CC(C)C2)cc1
InChIInChI=1S/C18H27N/c1-4-16-5-7-17(8-6-16)12-19-13-18-10-14(2)9-15(3)11-18/h5-9,14,18-19H,4,10-13H2,1-3H3
InChIKeyFYWBPRGVTJTKJV-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.33
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

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-propan-2-ylphenyl)methyl]methanamine
CID 103276706
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103276900
N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275983
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103276092
2-(5-chlorothiophen-2-yl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 114139953
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 103276866
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
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-ethylpentan-2-ol
CID 114168296

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine (CID 106899565) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine is CCc1ccc(CNCC2CC(C)=CC(C)C2)cc1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The InChIKey is FYWBPRGVTJTKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-4-16-5-7-17(8-6-16)12-19-13-18-10-14(2)9-15(3)11-18/h5-9,14,18-19H,4,10-13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine is sourced from PubChem (CID 106899565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).