(2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine

C7H12ClNO — CID 166129434

IUPAC(2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine
SMILESCO/C(C)=C(N)/C=C(\C)Cl
InChIInChI=1S/C7H12ClNO/c1-5(8)4-7(9)6(2)10-3/h4H,9H2,1-3H3/b5-4+,7-6-
InChIKeyUDIFWBMIXBJFGZ-DEQVHDEQSA-N
MW161.63 g/mol
LogP1.97
Rot. Bonds2

About (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine

(2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine (PubChem CID 166129434) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine
PubChem CID166129434
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine
SMILESCO/C(C)=C(N)/C=C(\C)Cl
InChIInChI=1S/C7H12ClNO/c1-5(8)4-7(9)6(2)10-3/h4H,9H2,1-3H3/b5-4+,7-6-
InChIKeyUDIFWBMIXBJFGZ-DEQVHDEQSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
CID 156566216
(3E,5E)-6-methoxyhepta-1,3,5-trien-3-amine
CID 88997185
(1E,3E)-5-chloro-1-methoxyhexa-1,3,5-triene-1,3-diamine
CID 89044529
(3E,5E)-7-chloro-6-methoxyhepta-1,3,5-trien-3-amine
CID 89154072
(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
CID 130240317
(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-amine
CID 139425595
ethane;(2Z,4Z)-2-methoxyhexa-2,4-dien-3-amine
CID 141984523
ethane;(3E)-4-methoxypenta-1,3-dien-2-amine
CID 142106438
(3E)-4-methoxypenta-1,3-dien-2-amine
CID 142106439
ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen
CID 142580697
(1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine
CID 143972679
(4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine
CID 144501893

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine?
The IUPAC name of (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine (CID 166129434) is (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine?
The canonical SMILES for (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine is CO/C(C)=C(N)/C=C(\C)Cl.
What is the InChIKey of (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine?
The InChIKey is UDIFWBMIXBJFGZ-DEQVHDEQSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-5(8)4-7(9)6(2)10-3/h4H,9H2,1-3H3/b5-4+,7-6-.
What are the key properties of (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine?
(2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine has a molecular weight of 161.63 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine is sourced from PubChem (CID 166129434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).