1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine

C15H23N — CID 79185315

IUPAC1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1ccc(C)c(C)c1)NC
InChIInChI=1S/C15H23N/c1-11(2)8-15(16-5)10-14-7-6-12(3)13(4)9-14/h6-7,9,15-16H,1,8,10H2,2-5H3
InChIKeyBDHKCJFHVBXSPM-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.40
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine

1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine (PubChem CID 79185315) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
PubChem CID79185315
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1ccc(C)c(C)c1)NC
InChIInChI=1S/C15H23N/c1-11(2)8-15(16-5)10-14-7-6-12(3)13(4)9-14/h6-7,9,15-16H,1,8,10H2,2-5H3
InChIKeyBDHKCJFHVBXSPM-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.40
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-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474589
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83174739
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 79180331
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine (CID 79185315) is 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine is C=C(C)CC(Cc1ccc(C)c(C)c1)NC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine?
The InChIKey is BDHKCJFHVBXSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)8-15(16-5)10-14-7-6-12(3)13(4)9-14/h6-7,9,15-16H,1,8,10H2,2-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine?
1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine is sourced from PubChem (CID 79185315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).