(Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine

C7H12N2 — CID 87310164

IUPAC(Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/N)CN
InChIInChI=1S/C7H12N2/c1-2-3-7(6-9)4-5-8/h2-5H,1,6,8-9H2/b5-4-,7-3+
InChIKeyXAGUJCXIXMUWKF-SBYNAHCQSA-N
MW124.19 g/mol
LogP0.53
Rot. Bonds3

About (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine

(Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine (PubChem CID 87310164) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine
PubChem CID87310164
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/N)CN
InChIInChI=1S/C7H12N2/c1-2-3-7(6-9)4-5-8/h2-5H,1,6,8-9H2/b5-4-,7-3+
InChIKeyXAGUJCXIXMUWKF-SBYNAHCQSA-N
XLogP0.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
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 (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The IUPAC name of (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine (CID 87310164) is (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine is C=C/C=C(\C=C/N)CN.
What is the InChIKey of (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The InChIKey is XAGUJCXIXMUWKF-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-7(6-9)4-5-8/h2-5H,1,6,8-9H2/b5-4-,7-3+.
What are the key properties of (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine?
(Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-prop-2-enylidenebut-1-ene-1,4-diamine is sourced from PubChem (CID 87310164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).