N-methyl-2-(4-methylphenyl)pent-4-en-1-amine

C13H19N — CID 154930772

IUPACN-methyl-2-(4-methylphenyl)pent-4-en-1-amine
SMILESC=CCC(CNC)c1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-4-5-13(10-14-3)12-8-6-11(2)7-9-12/h4,6-9,13-14H,1,5,10H2,2-3H3
InChIKeyQOEFOFVPRFZUOJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-2-(4-methylphenyl)pent-4-en-1-amine

N-methyl-2-(4-methylphenyl)pent-4-en-1-amine (PubChem CID 154930772) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)pent-4-en-1-amine
PubChem CID154930772
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-methyl-2-(4-methylphenyl)pent-4-en-1-amine
SMILESC=CCC(CNC)c1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-4-5-13(10-14-3)12-8-6-11(2)7-9-12/h4,6-9,13-14H,1,5,10H2,2-3H3
InChIKeyQOEFOFVPRFZUOJ-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.87
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-(4-fluorophenyl)-N-methylpent-4-en-1-amine
CID 18354439
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 103984749
1-hex-5-en-1-yn-3-yl-4-methylbenzene
CID 46854118
N-methyl-2-(4-methylphenyl)nonan-1-amine
CID 79436826
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
3-(4-fluorophenyl)-4-(methylamino)butanal
CID 59011239
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79436831
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575
N-methylbut-3-en-1-amine;1,4-xylene
CID 153363449
methyl 4-[(3R)-hex-5-en-3-yl]benzoate
CID 129405819

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)pent-4-en-1-amine?
The IUPAC name of N-methyl-2-(4-methylphenyl)pent-4-en-1-amine (CID 154930772) is N-methyl-2-(4-methylphenyl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)pent-4-en-1-amine is C=CCC(CNC)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)pent-4-en-1-amine?
The InChIKey is QOEFOFVPRFZUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-5-13(10-14-3)12-8-6-11(2)7-9-12/h4,6-9,13-14H,1,5,10H2,2-3H3.
What are the key properties of N-methyl-2-(4-methylphenyl)pent-4-en-1-amine?
N-methyl-2-(4-methylphenyl)pent-4-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)pent-4-en-1-amine is sourced from PubChem (CID 154930772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).