(E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine

C7H15N3 — CID 118971587

IUPAC(E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine
SMILESC/C=N/N/C=C/CN(C)C
InChIInChI=1S/C7H15N3/c1-4-8-9-6-5-7-10(2)3/h4-6,9H,7H2,1-3H3/b6-5+,8-4+
InChIKeyTYNRBLWIGLJYFN-PTFSRLPTSA-N
MW141.22 g/mol
LogP0.66
Rot. Bonds4

About (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine

(E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine (PubChem CID 118971587) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine
PubChem CID118971587
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine
SMILESC/C=N/N/C=C/CN(C)C
InChIInChI=1S/C7H15N3/c1-4-8-9-6-5-7-10(2)3/h4-6,9H,7H2,1-3H3/b6-5+,8-4+
InChIKeyTYNRBLWIGLJYFN-PTFSRLPTSA-N
XLogP0.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
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 (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine (CID 118971587) is (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine is C/C=N/N/C=C/CN(C)C.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine?
The InChIKey is TYNRBLWIGLJYFN-PTFSRLPTSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-8-9-6-5-7-10(2)3/h4-6,9H,7H2,1-3H3/b6-5+,8-4+.
What are the key properties of (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine?
(E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine has a molecular weight of 141.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-ethylideneamino]-N',N'-dimethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 118971587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).