(Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine

C12H17N3 — CID 172986499

IUPAC(Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine
SMILESCC/C(=N\N/C=C\NC)c1ccccc1
InChIInChI=1S/C12H17N3/c1-3-12(15-14-10-9-13-2)11-7-5-4-6-8-11/h4-10,13-14H,3H2,1-2H3/b10-9-,15-12+
InChIKeyQNZDIPOCTAVNPH-IFBDVHKASA-N
MW203.29 g/mol
LogP2.08
Rot. Bonds5

About (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine

(Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine (PubChem CID 172986499) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine
PubChem CID172986499
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine
SMILESCC/C(=N\N/C=C\NC)c1ccccc1
InChIInChI=1S/C12H17N3/c1-3-12(15-14-10-9-13-2)11-7-5-4-6-8-11/h4-10,13-14H,3H2,1-2H3/b10-9-,15-12+
InChIKeyQNZDIPOCTAVNPH-IFBDVHKASA-N
XLogP2.08
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine?
The IUPAC name of (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine (CID 172986499) is (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine?
The canonical SMILES for (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine is CC/C(=N\N/C=C\NC)c1ccccc1.
What is the InChIKey of (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine?
The InChIKey is QNZDIPOCTAVNPH-IFBDVHKASA-N. The full InChI is InChI=1S/C12H17N3/c1-3-12(15-14-10-9-13-2)11-7-5-4-6-8-11/h4-10,13-14H,3H2,1-2H3/b10-9-,15-12+.
What are the key properties of (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine?
(Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine has a molecular weight of 203.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine is sourced from PubChem (CID 172986499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).