(1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine

C6H9Cl2NO — CID 142477955

IUPAC(1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine
SMILESC=C(Cl)/C(OC)=C(/Cl)NC
InChIInChI=1S/C6H9Cl2NO/c1-4(7)5(10-3)6(8)9-2/h9H,1H2,2-3H3/b6-5+
InChIKeyUDYUXHSAAGXJTE-AATRIKPKSA-N
MW182.05 g/mol
LogP2.01
Rot. Bonds3

About (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine

(1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine (PubChem CID 142477955) has the molecular formula C6H9Cl2NO and a molecular weight of 182.05 g/mol. Its IUPAC name is (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine
PubChem CID142477955
Molecular FormulaC6H9Cl2NO
Molecular Weight182.05 g/mol
Exact Mass181.01
IUPAC Name(1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine
SMILESC=C(Cl)/C(OC)=C(/Cl)NC
InChIInChI=1S/C6H9Cl2NO/c1-4(7)5(10-3)6(8)9-2/h9H,1H2,2-3H3/b6-5+
InChIKeyUDYUXHSAAGXJTE-AATRIKPKSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-methoxyethene
CID 20553412
1-methoxy-N-methylethenamine
CID 22975960
1-chloro-N,2-dimethylprop-1-en-1-amine
CID 86211686
methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate
CID 166928500
1-chloro-N,N'-dimethyl-2-silylethene-1,2-diamine
CID 173059307
methyl (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidate
CID 145374341
(1E)-1-methoxy-3-methylbuta-1,3-dien-1-ol
CID 134856405
(3E)-5-chloro-3-methoxy-2-methylhexa-1,3,5-triene;ethane
CID 144678723
1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen
CID 157365988
1-methoxyethenethiolate
CID 134871761
(Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride
CID 137287186
2-methoxybut-1-en-3-yne
CID 11126175

Frequently Asked Questions

What is the IUPAC name of (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine (CID 142477955) is (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine is C=C(Cl)/C(OC)=C(/Cl)NC.
What is the InChIKey of (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine?
The InChIKey is UDYUXHSAAGXJTE-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9Cl2NO/c1-4(7)5(10-3)6(8)9-2/h9H,1H2,2-3H3/b6-5+.
What are the key properties of (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine?
(1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine has a molecular weight of 182.05 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,3-dichloro-2-methoxy-N-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 142477955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).