(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine

C5H12N4 — CID 89386289

IUPAC(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine
SMILESC=C(N)/C(N)=C(/N)NC
InChIInChI=1S/C5H12N4/c1-3(6)4(7)5(8)9-2/h9H,1,6-8H2,2H3/b5-4+
InChIKeyMVCIBTOSCBUDKA-SNAWJCMRSA-N
MW128.18 g/mol
LogP-1.24
Rot. Bonds2

About (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine

(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine (PubChem CID 89386289) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine.

Molecular Properties

Compound Name(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine
PubChem CID89386289
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine
SMILESC=C(N)/C(N)=C(/N)NC
InChIInChI=1S/C5H12N4/c1-3(6)4(7)5(8)9-2/h9H,1,6-8H2,2H3/b5-4+
InChIKeyMVCIBTOSCBUDKA-SNAWJCMRSA-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 (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine?
The IUPAC name of (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine (CID 89386289) is (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine.
What is the SMILES notation for (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine?
The canonical SMILES for (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine is C=C(N)/C(N)=C(/N)NC.
What is the InChIKey of (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine?
The InChIKey is MVCIBTOSCBUDKA-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H12N4/c1-3(6)4(7)5(8)9-2/h9H,1,6-8H2,2H3/b5-4+.
What are the key properties of (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine?
(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-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 (1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine is sourced from PubChem (CID 89386289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).