(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine

C14H19N — CID 145429144

IUPAC(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine
SMILESC=C(/C=C(\C)CNC)c1ccccc1C
InChIInChI=1S/C14H19N/c1-11(10-15-4)9-13(3)14-8-6-5-7-12(14)2/h5-9,15H,3,10H2,1-2,4H3/b11-9+
InChIKeyIWHLLAQKMNGYPX-PKNBQFBNSA-N
MW201.31 g/mol
LogP3.17
Rot. Bonds4

About (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine

(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine (PubChem CID 145429144) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine
PubChem CID145429144
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine
SMILESC=C(/C=C(\C)CNC)c1ccccc1C
InChIInChI=1S/C14H19N/c1-11(10-15-4)9-13(3)14-8-6-5-7-12(14)2/h5-9,15H,3,10H2,1-2,4H3/b11-9+
InChIKeyIWHLLAQKMNGYPX-PKNBQFBNSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene
CID 142567671
2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 164584980
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
N-methyl-4-(2-methylphenyl)pent-3-en-1-amine
CID 79599588
1,2,3-trimethyl-4-[(3E)-4-methylhexa-1,3-dien-2-yl]benzene
CID 178078822
(1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine
CID 143440830
1-methyl-2-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]benzene
CID 163229113
(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine
CID 155027630
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
CID 174000600
1-[(2Z,4E)-5,7-dimethylocta-2,4,7-trien-4-yl]-2-methylbenzene;ethane
CID 144660459

Frequently Asked Questions

What is the IUPAC name of (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine (CID 145429144) is (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine is C=C(/C=C(\C)CNC)c1ccccc1C.
What is the InChIKey of (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine?
The InChIKey is IWHLLAQKMNGYPX-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H19N/c1-11(10-15-4)9-13(3)14-8-6-5-7-12(14)2/h5-9,15H,3,10H2,1-2,4H3/b11-9+.
What are the key properties of (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine?
(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 145429144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).