(E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine

C20H42N2 — CID 19837432

IUPAC(E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine
SMILESCCCCCCCCN(/C=C/N(C)C)CCCCCCCC
InChIInChI=1S/C20H42N2/c1-5-7-9-11-13-15-17-22(20-19-21(3)4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3/b20-19+
InChIKeyTUBJEWJPDPUJGK-FMQUCBEESA-N
MW310.57 g/mol
LogP6.04
Rot. Bonds16

About (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine

(E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine (PubChem CID 19837432) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine
PubChem CID19837432
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name(E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine
SMILESCCCCCCCCN(/C=C/N(C)C)CCCCCCCC
InChIInChI=1S/C20H42N2/c1-5-7-9-11-13-15-17-22(20-19-21(3)4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3/b20-19+
InChIKeyTUBJEWJPDPUJGK-FMQUCBEESA-N
XLogP6.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine?
The IUPAC name of (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine (CID 19837432) is (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine.
What is the SMILES notation for (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine?
The canonical SMILES for (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine is CCCCCCCCN(/C=C/N(C)C)CCCCCCCC.
What is the InChIKey of (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine?
The InChIKey is TUBJEWJPDPUJGK-FMQUCBEESA-N. The full InChI is InChI=1S/C20H42N2/c1-5-7-9-11-13-15-17-22(20-19-21(3)4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3/b20-19+.
What are the key properties of (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine?
(E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine has a molecular weight of 310.57 g/mol, XLogP of 6.04, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine is sourced from PubChem (CID 19837432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).