1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine

C19H29N — CID 103276706

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H29N/c1-14(2)19-7-5-17(6-8-19)12-20-13-18-10-15(3)9-16(4)11-18/h5-9,14-15,18,20H,10-13H2,1-4H3
InChIKeyULEVGSAHCWGAQT-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.89
Rot. Bonds5

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine (PubChem CID 103276706) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine
PubChem CID103276706
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H29N/c1-14(2)19-7-5-17(6-8-19)12-20-13-18-10-15(3)9-16(4)11-18/h5-9,14-15,18,20H,10-13H2,1-4H3
InChIKeyULEVGSAHCWGAQT-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.89
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-ethylphenyl)methyl]methanamine
CID 106899565
N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275983
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103277023
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-[(dimethylamino)methyl]phenyl]methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103276092
N-[(4-propan-2-ylphenyl)methyl]-1-(thian-4-yl)methanamine
CID 113235575
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-4-ylethanamine
CID 103276065
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-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine
CID 103276658
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol
CID 103276887

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine (CID 103276706) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine is CC1=CC(C)CC(CNCc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine?
The InChIKey is ULEVGSAHCWGAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)19-7-5-17(6-8-19)12-20-13-18-10-15(3)9-16(4)11-18/h5-9,14-15,18,20H,10-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine has a molecular weight of 271.45 g/mol, XLogP of 4.89, 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-propan-2-ylphenyl)methyl]methanamine is sourced from PubChem (CID 103276706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).