(E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine

C13H28N2 — CID 87995376

IUPAC(E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine
SMILESC/C=C/CC(N(CC)CC)N(CC)CC
InChIInChI=1S/C13H28N2/c1-6-11-12-13(14(7-2)8-3)15(9-4)10-5/h6,11,13H,7-10,12H2,1-5H3/b11-6+
InChIKeyMYRQNNXNROIFAB-IZZDOVSWSA-N
MW212.38 g/mol
LogP2.96
Rot. Bonds8

About (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine

(E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine (PubChem CID 87995376) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine
PubChem CID87995376
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name(E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine
SMILESC/C=C/CC(N(CC)CC)N(CC)CC
InChIInChI=1S/C13H28N2/c1-6-11-12-13(14(7-2)8-3)15(9-4)10-5/h6,11,13H,7-10,12H2,1-5H3/b11-6+
InChIKeyMYRQNNXNROIFAB-IZZDOVSWSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine with MolForge

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

Launch Full Analysis

Related Compounds

CID 178929922
CID 178929922
CID 178930462
CID 178930462
CID 178930588
CID 178930588
CID 178931254
CID 178931254
CID 178931440
CID 178931440
CID 178931603
CID 178931603
CID 178931742
CID 178931742
CID 178932351
CID 178932351
CID 178932570
CID 178932570
CID 178933655
CID 178933655
CID 129805085
CID 129805085
CID 6434938
CID 6434938

Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine?
The IUPAC name of (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine (CID 87995376) is (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine?
The canonical SMILES for (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine is C/C=C/CC(N(CC)CC)N(CC)CC.
What is the InChIKey of (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine?
The InChIKey is MYRQNNXNROIFAB-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-11-12-13(14(7-2)8-3)15(9-4)10-5/h6,11,13H,7-10,12H2,1-5H3/b11-6+.
What are the key properties of (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine?
(E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N,1-N',1-N'-tetraethylpent-3-ene-1,1-diamine is sourced from PubChem (CID 87995376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).