(E)-but-2-ene-1,1,2,3-tetramine

C4H12N4 — CID 141180855

IUPAC(E)-but-2-ene-1,1,2,3-tetramine
SMILESC/C(N)=C(\N)C(N)N
InChIInChI=1S/C4H12N4/c1-2(5)3(6)4(7)8/h4H,5-8H2,1H3/b3-2+
InChIKeyWCMVXFHIIRGABV-NSCUHMNNSA-N
MW116.17 g/mol
LogP-1.62
Rot. Bonds1

About (E)-but-2-ene-1,1,2,3-tetramine

(E)-but-2-ene-1,1,2,3-tetramine (PubChem CID 141180855) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is (E)-but-2-ene-1,1,2,3-tetramine.

Molecular Properties

Compound Name(E)-but-2-ene-1,1,2,3-tetramine
PubChem CID141180855
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name(E)-but-2-ene-1,1,2,3-tetramine
SMILESC/C(N)=C(\N)C(N)N
InChIInChI=1S/C4H12N4/c1-2(5)3(6)4(7)8/h4H,5-8H2,1H3/b3-2+
InChIKeyWCMVXFHIIRGABV-NSCUHMNNSA-N
XLogP-1.62
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(E)-3-fluorobut-2-ene-1,2-diamine
CID 139576028
Prop-1-ene-1,1,2,3-tetramine
CID 87090442
Prop-1-ene-1,1,2,3,3-pentamine
CID 87964633
3-Methylbut-2-ene-1,2-diamine
CID 88007309
(E)-but-2-ene-1,2,3-triamine
CID 88556316
(Z)-but-2-ene-1,1,2,3-tetramine
CID 164055753
(Z)-but-2-ene-1,2,3-triamine
CID 164139385
Penta-1,3-diene-1,1,2,3,4,5-hexamine
CID 175601260

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene-1,1,2,3-tetramine?
The IUPAC name of (E)-but-2-ene-1,1,2,3-tetramine (CID 141180855) is (E)-but-2-ene-1,1,2,3-tetramine.
What is the SMILES notation for (E)-but-2-ene-1,1,2,3-tetramine?
The canonical SMILES for (E)-but-2-ene-1,1,2,3-tetramine is C/C(N)=C(\N)C(N)N.
What is the InChIKey of (E)-but-2-ene-1,1,2,3-tetramine?
The InChIKey is WCMVXFHIIRGABV-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H12N4/c1-2(5)3(6)4(7)8/h4H,5-8H2,1H3/b3-2+.
What are the key properties of (E)-but-2-ene-1,1,2,3-tetramine?
(E)-but-2-ene-1,1,2,3-tetramine has a molecular weight of 116.17 g/mol, XLogP of -1.62, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene-1,1,2,3-tetramine is sourced from PubChem (CID 141180855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).