5-methyl-1-(4-methylphenyl)hex-4-en-3-amine

C14H21N — CID 105163477

IUPAC5-methyl-1-(4-methylphenyl)hex-4-en-3-amine
SMILESCC(C)=CC(N)CCc1ccc(C)cc1
InChIInChI=1S/C14H21N/c1-11(2)10-14(15)9-8-13-6-4-12(3)5-7-13/h4-7,10,14H,8-9,15H2,1-3H3
InChIKeyDWUOVYHPADYCEM-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.22
Rot. Bonds4

About 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine

5-methyl-1-(4-methylphenyl)hex-4-en-3-amine (PubChem CID 105163477) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)hex-4-en-3-amine
PubChem CID105163477
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name5-methyl-1-(4-methylphenyl)hex-4-en-3-amine
SMILESCC(C)=CC(N)CCc1ccc(C)cc1
InChIInChI=1S/C14H21N/c1-11(2)10-14(15)9-8-13-6-4-12(3)5-7-13/h4-7,10,14H,8-9,15H2,1-3H3
InChIKeyDWUOVYHPADYCEM-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.22
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-amino-3-(4-methylphenyl)propane-1-sulfonic acid
CID 175464226
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
5-methylidene-1-(4-methylphenyl)heptan-3-amine
CID 105164109
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
CID 105110468
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine;hydrochloride
CID 117047046
(3S)-3-amino-5-(4-methylphenyl)pentanoic acid
CID 174696804
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine?
The IUPAC name of 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine (CID 105163477) is 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine is CC(C)=CC(N)CCc1ccc(C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine?
The InChIKey is DWUOVYHPADYCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)10-14(15)9-8-13-6-4-12(3)5-7-13/h4-7,10,14H,8-9,15H2,1-3H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine?
5-methyl-1-(4-methylphenyl)hex-4-en-3-amine has a molecular weight of 203.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)hex-4-en-3-amine is sourced from PubChem (CID 105163477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).