(1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine

C5H12N4 — CID 163702806

IUPAC(1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine
SMILESCN/C=C(N)/C(N)=C/N
InChIInChI=1S/C5H12N4/c1-9-3-5(8)4(7)2-6/h2-3,9H,6-8H2,1H3/b4-2-,5-3-
InChIKeyKCMSSJWGABPSRW-JVLMNHKTSA-N
MW128.18 g/mol
LogP-1.24
Rot. Bonds2

About (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine

(1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine (PubChem CID 163702806) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine.

Molecular Properties

Compound Name(1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine
PubChem CID163702806
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name(1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine
SMILESCN/C=C(N)/C(N)=C/N
InChIInChI=1S/C5H12N4/c1-9-3-5(8)4(7)2-6/h2-3,9H,6-8H2,1H3/b4-2-,5-3-
InChIKeyKCMSSJWGABPSRW-JVLMNHKTSA-N
XLogP-1.24
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.24
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,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine?
The IUPAC name of (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine (CID 163702806) is (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine.
What is the SMILES notation for (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine?
The canonical SMILES for (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine is CN/C=C(N)/C(N)=C/N.
What is the InChIKey of (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine?
The InChIKey is KCMSSJWGABPSRW-JVLMNHKTSA-N. The full InChI is InChI=1S/C5H12N4/c1-9-3-5(8)4(7)2-6/h2-3,9H,6-8H2,1H3/b4-2-,5-3-.
What are the key properties of (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine?
(1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine has a molecular weight of 128.18 g/mol, XLogP of -1.24, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-4-N-methylbuta-1,3-diene-1,2,3,4-tetramine is sourced from PubChem (CID 163702806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).