(E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine

C12H17N3 — CID 178169838

IUPAC(E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine
SMILESCCc1ccc(NC(/C=N/C)=C/N)cc1
InChIInChI=1S/C12H17N3/c1-3-10-4-6-11(7-5-10)15-12(8-13)9-14-2/h4-9,15H,3,13H2,1-2H3/b12-8+,14-9+
InChIKeyMAFXYLBFQDYODG-MXOVAJDFSA-N
MW203.29 g/mol
LogP2.16
Rot. Bonds4

About (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine

(E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine (PubChem CID 178169838) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine
PubChem CID178169838
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine
SMILESCCc1ccc(NC(/C=N/C)=C/N)cc1
InChIInChI=1S/C12H17N3/c1-3-10-4-6-11(7-5-10)15-12(8-13)9-14-2/h4-9,15H,3,13H2,1-2H3/b12-8+,14-9+
InChIKeyMAFXYLBFQDYODG-MXOVAJDFSA-N
XLogP2.16
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 ≤ 52.16
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

(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide
CID 45481384
1-(4-ethylphenyl)-2-prop-2-enylguanidine;hydroiodide
CID 111023973
N,4-diethylaniline
CID 6429431
1-(4-ethylphenyl)-3-methylurea
CID 54250791
2-[(4-ethylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 155719005
2-N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-4-N-[5-(buta-1,3-dien-2-ylamino)-2-fluorophenyl]-5-(3-ethyl-5-fluorophenyl)pyrimidine-2,4-diamine
CID 163281315
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine
CID 111089067
1-(4-ethylphenyl)-3-[4-(methylideneamino)-5-(methyliminomethyl)-1H-pyrrol-3-yl]urea
CID 146642384
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine (CID 178169838) is (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine is CCc1ccc(NC(/C=N/C)=C/N)cc1.
What is the InChIKey of (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine?
The InChIKey is MAFXYLBFQDYODG-MXOVAJDFSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-10-4-6-11(7-5-10)15-12(8-13)9-14-2/h4-9,15H,3,13H2,1-2H3/b12-8+,14-9+.
What are the key properties of (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine?
(E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine has a molecular weight of 203.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-(4-ethylphenyl)-3-methyliminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 178169838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).