(E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine

C12H17N3 — CID 155712528

IUPAC(E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine
SMILESCNC(/C=N/Cc1cccc(C)c1)=C/N
InChIInChI=1S/C12H17N3/c1-10-4-3-5-11(6-10)8-15-9-12(7-13)14-2/h3-7,9,14H,8,13H2,1-2H3/b12-7+,15-9+
InChIKeyOUIHVIBNFMPFNB-VJTWTVCVSA-N
MW203.29 g/mol
LogP1.59
Rot. Bonds4

About (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine

(E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine (PubChem CID 155712528) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine
PubChem CID155712528
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine
SMILESCNC(/C=N/Cc1cccc(C)c1)=C/N
InChIInChI=1S/C12H17N3/c1-10-4-3-5-11(6-10)8-15-9-12(7-13)14-2/h3-7,9,14H,8,13H2,1-2H3/b12-7+,15-9+
InChIKeyOUIHVIBNFMPFNB-VJTWTVCVSA-N
XLogP1.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-[(3-methylphenyl)methyl]guanidine
CID 64868829
N-cyano-N'-[(3-methylphenyl)methyl]ethanimidamide
CID 10219732
cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine
CID 143249050
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
1-(azidomethyl)-3-methylbenzene
CID 2736816
1-ethyl-3-methylbenzene;methanamine
CID 167447790
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
2-methyl-N'-[(3-methylphenyl)methyl]butanimidamide
CID 123979785
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
1-(3-methylbutyl)-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046250

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine (CID 155712528) is (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine is CNC(/C=N/Cc1cccc(C)c1)=C/N.
What is the InChIKey of (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine?
The InChIKey is OUIHVIBNFMPFNB-VJTWTVCVSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-4-3-5-11(6-10)8-15-9-12(7-13)14-2/h3-7,9,14H,8,13H2,1-2H3/b12-7+,15-9+.
What are the key properties of (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine?
(E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine has a molecular weight of 203.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-methyl-3-[(3-methylphenyl)methylimino]prop-1-ene-1,2-diamine is sourced from PubChem (CID 155712528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).