N-methyl-4-(2-methylphenyl)pent-3-en-1-amine

C13H19N — CID 79599588

IUPACN-methyl-4-(2-methylphenyl)pent-3-en-1-amine
SMILESCNCCC=C(C)c1ccccc1C
InChIInChI=1S/C13H19N/c1-11-7-4-5-9-13(11)12(2)8-6-10-14-3/h4-5,7-9,14H,6,10H2,1-3H3
InChIKeyASEKCUDHYPNZAO-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-4-(2-methylphenyl)pent-3-en-1-amine

N-methyl-4-(2-methylphenyl)pent-3-en-1-amine (PubChem CID 79599588) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-methyl-4-(2-methylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylphenyl)pent-3-en-1-amine
PubChem CID79599588
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-methyl-4-(2-methylphenyl)pent-3-en-1-amine
SMILESCNCCC=C(C)c1ccccc1C
InChIInChI=1S/C13H19N/c1-11-7-4-5-9-13(11)12(2)8-6-10-14-3/h4-5,7-9,14H,6,10H2,1-3H3
InChIKeyASEKCUDHYPNZAO-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
CID 54424619
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
CID 142163032
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
N,N'-dimethyl-N'-[(Z)-3-(2-methylphenyl)pent-3-enyl]ethane-1,2-diamine
CID 169001085
(Z)-4-(2-methylphenyl)pent-3-en-2-one
CID 67605542
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine
CID 145429144
N-[4-(2,5-dimethylphenyl)pent-3-enyl]cyclopropanamine
CID 79599402
(Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine
CID 115375599
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylphenyl)pent-3-en-1-amine?
The IUPAC name of N-methyl-4-(2-methylphenyl)pent-3-en-1-amine (CID 79599588) is N-methyl-4-(2-methylphenyl)pent-3-en-1-amine.
What is the SMILES notation for N-methyl-4-(2-methylphenyl)pent-3-en-1-amine?
The canonical SMILES for N-methyl-4-(2-methylphenyl)pent-3-en-1-amine is CNCCC=C(C)c1ccccc1C.
What is the InChIKey of N-methyl-4-(2-methylphenyl)pent-3-en-1-amine?
The InChIKey is ASEKCUDHYPNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-7-4-5-9-13(11)12(2)8-6-10-14-3/h4-5,7-9,14H,6,10H2,1-3H3.
What are the key properties of N-methyl-4-(2-methylphenyl)pent-3-en-1-amine?
N-methyl-4-(2-methylphenyl)pent-3-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79599588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).