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

C16H24N2O — CID 155718475

IUPACmethyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate
SMILESCCC(N)/C(=N/C(=C(C)C)c1cccc(C)c1)OC
InChIInChI=1S/C16H24N2O/c1-6-14(17)16(19-5)18-15(11(2)3)13-9-7-8-12(4)10-13/h7-10,14H,6,17H2,1-5H3/b18-16-
InChIKeyCGCUUMHFGUGASE-VLGSPTGOSA-N
MW260.38 g/mol
LogP3.53
Rot. Bonds4

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

methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate (PubChem CID 155718475) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate
PubChem CID155718475
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Namemethyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate
SMILESCCC(N)/C(=N/C(=C(C)C)c1cccc(C)c1)OC
InChIInChI=1S/C16H24N2O/c1-6-14(17)16(19-5)18-15(11(2)3)13-9-7-8-12(4)10-13/h7-10,14H,6,17H2,1-5H3/b18-16-
InChIKeyCGCUUMHFGUGASE-VLGSPTGOSA-N
XLogP3.53
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.53
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
(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
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
N-methyl-2-[2-[[(3Z)-3-[(methylideneamino)-phenylmethylidene]hexan-2-ylidene]amino]ethoxy]ethanamine
CID 132151063
methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate
CID 135213463
methyl 2-amino-N-benzhydrylethanimidate
CID 141033873

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate?
The IUPAC name of methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate (CID 155718475) is methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate.
What is the SMILES notation for methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate?
The canonical SMILES for methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate is CCC(N)/C(=N/C(=C(C)C)c1cccc(C)c1)OC.
What is the InChIKey of methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate?
The InChIKey is CGCUUMHFGUGASE-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-6-14(17)16(19-5)18-15(11(2)3)13-9-7-8-12(4)10-13/h7-10,14H,6,17H2,1-5H3/b18-16-.
What are the key properties of methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate?
methyl 2-amino-N-[2-methyl-1-(3-methylphenyl)prop-1-enyl]butanimidate has a molecular weight of 260.38 g/mol, XLogP of 3.53, 4 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]butanimidate is sourced from PubChem (CID 155718475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).