N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine

C15H23N — CID 79347970

IUPACN-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(C=CCNCC(C)C)c1
InChIInChI=1S/C15H23N/c1-12(2)11-16-9-5-6-15-10-13(3)7-8-14(15)4/h5-8,10,12,16H,9,11H2,1-4H3
InChIKeyBEDIMZNCBAUICN-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.56
Rot. Bonds5

About N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine

N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine (PubChem CID 79347970) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine
PubChem CID79347970
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(C=CCNCC(C)C)c1
InChIInChI=1S/C15H23N/c1-12(2)11-16-9-5-6-15-10-13(3)7-8-14(15)4/h5-8,10,12,16H,9,11H2,1-4H3
InChIKeyBEDIMZNCBAUICN-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.56
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

1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
CID 143887772
chloro-[3-(2,5-dimethylphenyl)prop-2-enyl]silane
CID 152755500
(E)-4-(2,5-dimethylphenyl)but-3-enenitrile
CID 83695516
2-[(E)-3-(2-methylpropylamino)prop-1-enyl]benzonitrile
CID 107937113
N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 79347420
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
N-[3-(3,5-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79348417
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
N-(2-methylpropyl)-4-(4-methyl-3-pyridinyl)but-3-en-1-amine
CID 79598791
N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347868
4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473520
N-[3-(2,6-difluorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347750

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine (CID 79347970) is N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine is Cc1ccc(C)c(C=CCNCC(C)C)c1.
What is the InChIKey of N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine?
The InChIKey is BEDIMZNCBAUICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)11-16-9-5-6-15-10-13(3)7-8-14(15)4/h5-8,10,12,16H,9,11H2,1-4H3.
What are the key properties of N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine?
N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79347970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).