1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine

C16H25N — CID 114474589

IUPAC1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1ccc(C)c(C)c1)NC
InChIInChI=1S/C16H25N/c1-12(2)6-9-16(17-5)11-15-8-7-13(3)14(4)10-15/h7-8,10,16-17H,1,6,9,11H2,2-5H3
InChIKeyPHJGZZWINRGWRR-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.79
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine

1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine (PubChem CID 114474589) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
PubChem CID114474589
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1ccc(C)c(C)c1)NC
InChIInChI=1S/C16H25N/c1-12(2)6-9-16(17-5)11-15-8-7-13(3)14(4)10-15/h7-8,10,16-17H,1,6,9,11H2,2-5H3
InChIKeyPHJGZZWINRGWRR-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.79
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,4-dimethylpent-4-en-2-amine
CID 79185315
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474158
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
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)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83174739
1-(3,4-dimethoxyphenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474287
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(cyclohexen-1-yl)-N,5-dimethylhex-5-en-2-amine
CID 114475921

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine (CID 114474589) is 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine is C=C(C)CCC(Cc1ccc(C)c(C)c1)NC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine?
The InChIKey is PHJGZZWINRGWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)6-9-16(17-5)11-15-8-7-13(3)14(4)10-15/h7-8,10,16-17H,1,6,9,11H2,2-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine?
1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.79, 6 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,5-dimethylhex-5-en-2-amine is sourced from PubChem (CID 114474589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).