(1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine

C6H12N4 — CID 88944339

IUPAC(1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine
SMILESC=CN/C(N)=C(\N)C(=C)N
InChIInChI=1S/C6H12N4/c1-3-10-6(9)5(8)4(2)7/h3,10H,1-2,7-9H2/b6-5-
InChIKeyVBTSEBKXJDZMBZ-WAYWQWQTSA-N
MW140.19 g/mol
LogP-0.72
Rot. Bonds3

About (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine

(1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine (PubChem CID 88944339) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine.

Molecular Properties

Compound Name(1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine
PubChem CID88944339
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine
SMILESC=CN/C(N)=C(\N)C(=C)N
InChIInChI=1S/C6H12N4/c1-3-10-6(9)5(8)4(2)7/h3,10H,1-2,7-9H2/b6-5-
InChIKeyVBTSEBKXJDZMBZ-WAYWQWQTSA-N
XLogP-0.72
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine?
The IUPAC name of (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine (CID 88944339) is (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine.
What is the SMILES notation for (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine?
The canonical SMILES for (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine is C=CN/C(N)=C(\N)C(=C)N.
What is the InChIKey of (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine?
The InChIKey is VBTSEBKXJDZMBZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-10-6(9)5(8)4(2)7/h3,10H,1-2,7-9H2/b6-5-.
What are the key properties of (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine?
(1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine has a molecular weight of 140.19 g/mol, XLogP of -0.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N'-ethenylbuta-1,3-diene-1,1,2,3-tetramine is sourced from PubChem (CID 88944339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).