1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine

C13H26N2 — CID 86160755

IUPAC1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine
SMILESC=C(C)C=C(N(CC)CC)N(CC)CC
InChIInChI=1S/C13H26N2/c1-7-14(8-2)13(11-12(5)6)15(9-3)10-4/h11H,5,7-10H2,1-4,6H3
InChIKeyXTMTZVCAMQXVJK-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.09
Rot. Bonds7

About 1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine

1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine (PubChem CID 86160755) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine
PubChem CID86160755
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine
SMILESC=C(C)C=C(N(CC)CC)N(CC)CC
InChIInChI=1S/C13H26N2/c1-7-14(8-2)13(11-12(5)6)15(9-3)10-4/h11H,5,7-10H2,1-4,6H3
InChIKeyXTMTZVCAMQXVJK-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.09
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'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine (CID 86160755) is 1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine is C=C(C)C=C(N(CC)CC)N(CC)CC.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine?
The InChIKey is XTMTZVCAMQXVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-7-14(8-2)13(11-12(5)6)15(9-3)10-4/h11H,5,7-10H2,1-4,6H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine?
1-N,1-N,1-N',1-N'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine has a molecular weight of 210.36 g/mol, XLogP of 3.09, 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'-tetraethyl-3-methylbuta-1,3-diene-1,1-diamine is sourced from PubChem (CID 86160755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).