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

C8H17N3 — CID 118971625

IUPAC(E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine
SMILESC/C=N/N(C)/C=C/CN(C)C
InChIInChI=1S/C8H17N3/c1-5-9-11(4)8-6-7-10(2)3/h5-6,8H,7H2,1-4H3/b8-6+,9-5+
InChIKeyOELYODHKUZNWOV-RFSWUZDDSA-N
MW155.24 g/mol
LogP1.00
Rot. Bonds4

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

(E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine (PubChem CID 118971625) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine
PubChem CID118971625
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine
SMILESC/C=N/N(C)/C=C/CN(C)C
InChIInChI=1S/C8H17N3/c1-5-9-11(4)8-6-7-10(2)3/h5-6,8H,7H2,1-4H3/b8-6+,9-5+
InChIKeyOELYODHKUZNWOV-RFSWUZDDSA-N
XLogP1.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
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',N'-trimethylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine (CID 118971625) is (E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine is C/C=N/N(C)/C=C/CN(C)C.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine?
The InChIKey is OELYODHKUZNWOV-RFSWUZDDSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-9-11(4)8-6-7-10(2)3/h5-6,8H,7H2,1-4H3/b8-6+,9-5+.
What are the key properties of (E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine?
(E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine has a molecular weight of 155.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-ethylideneamino]-N,N',N'-trimethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 118971625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).