(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine

C6H9ClN2 — CID 89064716

IUPAC(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(C)=C\C=C(/N)Cl
InChIInChI=1S/C6H9ClN2/c1-5(9-2)3-4-6(7)8/h3-4H,2,8H2,1H3/b5-3-,6-4-
InChIKeyYTAMUDBVSWFHHK-GLIMQPGKSA-N
MW144.60 g/mol
LogP1.63
Rot. Bonds2

About (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine

(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine (PubChem CID 89064716) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
PubChem CID89064716
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(C)=C\C=C(/N)Cl
InChIInChI=1S/C6H9ClN2/c1-5(9-2)3-4-6(7)8/h3-4H,2,8H2,1H3/b5-3-,6-4-
InChIKeyYTAMUDBVSWFHHK-GLIMQPGKSA-N
XLogP1.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 174135156
CID 174135156
N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
CID 167253000
(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienoic acid
CID 134400268
(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine
CID 142112533
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
CID 142804445
N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 174337124
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
N-[(1E,3E)-1-chloro-4-isocyanatopenta-1,3-dienyl]methanimine
CID 134361316
N-[(2Z,4E)-7,7,7-trifluoro-5,6-dimethylhepta-2,4-dien-2-yl]methanimine
CID 166894169
N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
CID 90369842
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine (CID 89064716) is (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine is C=N/C(C)=C\C=C(/N)Cl.
What is the InChIKey of (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine?
The InChIKey is YTAMUDBVSWFHHK-GLIMQPGKSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-5(9-2)3-4-6(7)8/h3-4H,2,8H2,1H3/b5-3-,6-4-.
What are the key properties of (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine?
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine has a molecular weight of 144.60 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine is sourced from PubChem (CID 89064716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).