(1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine

C6H9ClN2 — CID 142104606

IUPAC(1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine
SMILESC=N/C=C(N)\C=C/CCl
InChIInChI=1S/C6H9ClN2/c1-9-5-6(8)3-2-4-7/h2-3,5H,1,4,8H2/b3-2-,6-5+
InChIKeyWZMARUHOSXREKY-NDEAWQBTSA-N
MW144.60 g/mol
LogP1.28
Rot. Bonds3

About (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine

(1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine (PubChem CID 142104606) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine
PubChem CID142104606
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name(1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine
SMILESC=N/C=C(N)\C=C/CCl
InChIInChI=1S/C6H9ClN2/c1-9-5-6(8)3-2-4-7/h2-3,5H,1,4,8H2/b3-2-,6-5+
InChIKeyWZMARUHOSXREKY-NDEAWQBTSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine
CID 130427039
(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
CID 138700894
(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine
CID 142097625
N-[(1E,3Z)-1-chlorohexa-1,3,5-trien-3-yl]methanimine
CID 143671889
(3E)-5-(methylideneamino)penta-1,3-dien-3-amine
CID 166986229
(1Z,3Z)-5-chloropenta-1,3-diene-1,4-diamine
CID 167443921
1-(Methylideneamino)penta-1,3-dien-3-amine
CID 163573826

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine?
The IUPAC name of (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine (CID 142104606) is (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine.
What is the SMILES notation for (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine?
The canonical SMILES for (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine is C=N/C=C(N)\C=C/CCl.
What is the InChIKey of (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine?
The InChIKey is WZMARUHOSXREKY-NDEAWQBTSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-9-5-6(8)3-2-4-7/h2-3,5H,1,4,8H2/b3-2-,6-5+.
What are the key properties of (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine?
(1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine has a molecular weight of 144.60 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-chloro-1-(methylideneamino)penta-1,3-dien-2-amine is sourced from PubChem (CID 142104606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).