methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate

C15H22N2O — CID 155718564

IUPACmethyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate
SMILESCO/C(=N\C(=C(C)C)c1cccc(C)c1)C(C)N
InChIInChI=1S/C15H22N2O/c1-10(2)14(17-15(18-5)12(4)16)13-8-6-7-11(3)9-13/h6-9,12H,16H2,1-5H3/b17-15-
InChIKeyXMQBPHFILDGPND-ICFOKQHNSA-N
MW246.35 g/mol
LogP3.14
Rot. Bonds3

About methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate

methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate (PubChem CID 155718564) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate
PubChem CID155718564
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Namemethyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate
SMILESCO/C(=N\C(=C(C)C)c1cccc(C)c1)C(C)N
InChIInChI=1S/C15H22N2O/c1-10(2)14(17-15(18-5)12(4)16)13-8-6-7-11(3)9-13/h6-9,12H,16H2,1-5H3/b17-15-
InChIKeyXMQBPHFILDGPND-ICFOKQHNSA-N
XLogP3.14
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]-3-methylbutanimidate
CID 155718546
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]ethanimidate
CID 155718624
methyl 2-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]propanimidate
CID 156843898
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
(2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine
CID 155718621
methyl 2-amino-N-[(3-fluorophenyl)methyl]propanimidate
CID 156843951
N-(3-(Aminomethyl)benzyl)-2-methoxyacetamidine
CID 18356534
[3-(Aminomethyl)-5-[(butan-2-ylideneamino)methyl]phenyl]methanamine
CID 20496988
3-(2,6-dimethylphenyl)imino-N-methoxybutan-2-amine
CID 57302881
ethyl N-benzyl-3-methyl-2-(methylamino)butanimidate
CID 71165592
2-amino-N'-benzyl-3-methoxypropanimidamide
CID 123324852
1-(4-Phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine
CID 123654244

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate?
The IUPAC name of methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate (CID 155718564) is methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate.
What is the SMILES notation for methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate?
The canonical SMILES for methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate is CO/C(=N\C(=C(C)C)c1cccc(C)c1)C(C)N.
What is the InChIKey of methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate?
The InChIKey is XMQBPHFILDGPND-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)14(17-15(18-5)12(4)16)13-8-6-7-11(3)9-13/h6-9,12H,16H2,1-5H3/b17-15-.
What are the key properties of methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate?
methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate has a molecular weight of 246.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]propanimidate is sourced from PubChem (CID 155718564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).