(3Z)-5-chlorohexa-1,3,5-trien-2-amine

C6H8ClN — CID 134351965

IUPAC(3Z)-5-chlorohexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)Cl
InChIInChI=1S/C6H8ClN/c1-5(7)3-4-6(2)8/h3-4H,1-2,8H2/b4-3-
InChIKeyVCSKOEWUHWKZBZ-ARJAWSKDSA-N
MW129.59 g/mol
LogP1.77
Rot. Bonds2

About (3Z)-5-chlorohexa-1,3,5-trien-2-amine

(3Z)-5-chlorohexa-1,3,5-trien-2-amine (PubChem CID 134351965) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is (3Z)-5-chlorohexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-chlorohexa-1,3,5-trien-2-amine
PubChem CID134351965
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name(3Z)-5-chlorohexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)Cl
InChIInChI=1S/C6H8ClN/c1-5(7)3-4-6(2)8/h3-4H,1-2,8H2/b4-3-
InChIKeyVCSKOEWUHWKZBZ-ARJAWSKDSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chlorohexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-chlorohexa-1,3,5-trien-2-amine (CID 134351965) is (3Z)-5-chlorohexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-chlorohexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-chlorohexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)Cl.
What is the InChIKey of (3Z)-5-chlorohexa-1,3,5-trien-2-amine?
The InChIKey is VCSKOEWUHWKZBZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5(7)3-4-6(2)8/h3-4H,1-2,8H2/b4-3-.
What are the key properties of (3Z)-5-chlorohexa-1,3,5-trien-2-amine?
(3Z)-5-chlorohexa-1,3,5-trien-2-amine has a molecular weight of 129.59 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chlorohexa-1,3,5-trien-2-amine is sourced from PubChem (CID 134351965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).