(2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine

C8H14ClNO — CID 155470121

IUPAC(2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine
SMILESCNC(/C=C(\C)Cl)=C(/C)OC
InChIInChI=1S/C8H14ClNO/c1-6(9)5-8(10-3)7(2)11-4/h5,10H,1-4H3/b6-5+,8-7-
InChIKeyOIOGYJVENYHBBK-MDAAKZFYSA-N
MW175.66 g/mol
LogP2.23
Rot. Bonds3

About (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine

(2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine (PubChem CID 155470121) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine
PubChem CID155470121
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine
SMILESCNC(/C=C(\C)Cl)=C(/C)OC
InChIInChI=1S/C8H14ClNO/c1-6(9)5-8(10-3)7(2)11-4/h5,10H,1-4H3/b6-5+,8-7-
InChIKeyOIOGYJVENYHBBK-MDAAKZFYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine (CID 155470121) is (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine is CNC(/C=C(\C)Cl)=C(/C)OC.
What is the InChIKey of (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine?
The InChIKey is OIOGYJVENYHBBK-MDAAKZFYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-6(9)5-8(10-3)7(2)11-4/h5,10H,1-4H3/b6-5+,8-7-.
What are the key properties of (2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine?
(2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine has a molecular weight of 175.66 g/mol, XLogP of 2.23, 3 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-methoxy-N-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 155470121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).