N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine

C14H21N — CID 103527856

IUPACN-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCc1cc(C)cc(C)c1
InChIInChI=1S/C14H21N/c1-11(2)5-6-15-10-14-8-12(3)7-13(4)9-14/h5,7-9,15H,6,10H2,1-4H3
InChIKeyHPGDWJGFXFBCDV-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.36
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine

N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine (PubChem CID 103527856) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine
PubChem CID103527856
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCc1cc(C)cc(C)c1
InChIInChI=1S/C14H21N/c1-11(2)5-6-15-10-14-8-12(3)7-13(4)9-14/h5,7-9,15H,6,10H2,1-4H3
InChIKeyHPGDWJGFXFBCDV-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-methylbut-2-en-1-amine;hydrobromide
CID 173401181
(Z)-2-methyl-4-[(3-methylphenyl)methylamino]but-2-enoic acid
CID 103239916
N-[(5-bromo-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527851
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527914
3-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]but-2-en-1-amine
CID 106180560
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527776
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106180583
4-[(3-methylbut-2-enylamino)methyl]benzonitrile
CID 103527852
(Z)-2-methyl-4-[(4-methylphenyl)methylamino]but-2-enoic acid
CID 103236153
N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 106180105
1-[(3,5-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 63932078
2,4,6-trimethyl-N-(3-methylbut-2-enyl)aniline
CID 58339600

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine (CID 103527856) is N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine is CC(C)=CCNCc1cc(C)cc(C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine?
The InChIKey is HPGDWJGFXFBCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)5-6-15-10-14-8-12(3)7-13(4)9-14/h5,7-9,15H,6,10H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine?
N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 103527856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).