1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine

C12H24N2 — CID 86160754

IUPAC1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine
SMILESC=CC=C(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H24N2/c1-6-11-12(13(7-2)8-3)14(9-4)10-5/h6,11H,1,7-10H2,2-5H3
InChIKeyBJGCVYGPEDUPTG-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.70
Rot. Bonds7

About 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine

1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine (PubChem CID 86160754) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine
PubChem CID86160754
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine
SMILESC=CC=C(N(CC)CC)N(CC)CC
InChIInChI=1S/C12H24N2/c1-6-11-12(13(7-2)8-3)14(9-4)10-5/h6,11H,1,7-10H2,2-5H3
InChIKeyBJGCVYGPEDUPTG-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine (CID 86160754) is 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine is C=CC=C(N(CC)CC)N(CC)CC.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine?
The InChIKey is BJGCVYGPEDUPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-11-12(13(7-2)8-3)14(9-4)10-5/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine?
1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetraethylbuta-1,3-diene-1,1-diamine is sourced from PubChem (CID 86160754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).