(1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine

C5H9ClN2 — CID 167443921

IUPAC(1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine
SMILESN/C=C\C=C(/N)CCl
InChIInChI=1S/C5H9ClN2/c6-4-5(8)2-1-3-7/h1-3H,4,7-8H2/b3-1-,5-2-
InChIKeyFYPQRZOVMOQMSQ-LEWNYYKSSA-N
MW132.59 g/mol
LogP0.54
Rot. Bonds2

About (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine

(1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine (PubChem CID 167443921) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine
PubChem CID167443921
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name(1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine
SMILESN/C=C\C=C(/N)CCl
InChIInChI=1S/C5H9ClN2/c6-4-5(8)2-1-3-7/h1-3H,4,7-8H2/b3-1-,5-2-
InChIKeyFYPQRZOVMOQMSQ-LEWNYYKSSA-N
XLogP0.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine (CID 167443921) is (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine is N/C=C\C=C(/N)CCl.
What is the InChIKey of (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine?
The InChIKey is FYPQRZOVMOQMSQ-LEWNYYKSSA-N. The full InChI is InChI=1S/C5H9ClN2/c6-4-5(8)2-1-3-7/h1-3H,4,7-8H2/b3-1-,5-2-.
What are the key properties of (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine?
(1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine has a molecular weight of 132.59 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 167443921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).