2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine

C19H31N — CID 78047529

IUPAC2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine
SMILESCC(C)=CC(CC(C)c1cccc(C)c1)NCC(C)C
InChIInChI=1S/C19H31N/c1-14(2)10-19(20-13-15(3)4)12-17(6)18-9-7-8-16(5)11-18/h7-11,15,17,19-20H,12-13H2,1-6H3
InChIKeyWYGKXMVNZLCVAA-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.07
Rot. Bonds7

About 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine

2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine (PubChem CID 78047529) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine
PubChem CID78047529
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine
SMILESCC(C)=CC(CC(C)c1cccc(C)c1)NCC(C)C
InChIInChI=1S/C19H31N/c1-14(2)10-19(20-13-15(3)4)12-17(6)18-9-7-8-16(5)11-18/h7-11,15,17,19-20H,12-13H2,1-6H3
InChIKeyWYGKXMVNZLCVAA-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.07
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

2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 61055543
3-(3-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81019471
4-(3-methylphenyl)pentan-2-amine
CID 64719404
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
2-(3-methylphenyl)propan-1-ol
CID 21478686
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
5-[4,4-bis(3-methylphenyl)butan-2-yl]-1,2,3-trimethylbenzene
CID 59091148
1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea
CID 111459209
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
(3S)-3-(3-methylphenyl)butanenitrile
CID 102340136
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine?
The IUPAC name of 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine (CID 78047529) is 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine.
What is the SMILES notation for 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine?
The canonical SMILES for 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine is CC(C)=CC(CC(C)c1cccc(C)c1)NCC(C)C.
What is the InChIKey of 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine?
The InChIKey is WYGKXMVNZLCVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14(2)10-19(20-13-15(3)4)12-17(6)18-9-7-8-16(5)11-18/h7-11,15,17,19-20H,12-13H2,1-6H3.
What are the key properties of 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine?
2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine has a molecular weight of 273.46 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine is sourced from PubChem (CID 78047529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).