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

C9H16ClNO — CID 144906217

IUPAC(2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine
SMILESCC/C(Cl)=C\C(NC)=C(/C)OC
InChIInChI=1S/C9H16ClNO/c1-5-8(10)6-9(11-3)7(2)12-4/h6,11H,5H2,1-4H3/b8-6+,9-7-
InChIKeyFCNURTDZWAJMLM-FFELTBSMSA-N
MW189.69 g/mol
LogP2.62
Rot. Bonds4

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

(2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine (PubChem CID 144906217) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is (2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine
PubChem CID144906217
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name(2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine
SMILESCC/C(Cl)=C\C(NC)=C(/C)OC
InChIInChI=1S/C9H16ClNO/c1-5-8(10)6-9(11-3)7(2)12-4/h6,11H,5H2,1-4H3/b8-6+,9-7-
InChIKeyFCNURTDZWAJMLM-FFELTBSMSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.62
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

(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
CID 134333960
2-chloro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365721
6-chloro-4-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969690
(2Z,4E)-5-chloro-2-methoxy-N-methylhexa-2,4-dien-3-amine
CID 155470121
(2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine
CID 163754759
(3E)-4-methoxy-N,5,5-trimethylhexa-1,3-dien-2-amine
CID 167184980
(2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine
CID 167242092

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine (CID 144906217) is (2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine is CC/C(Cl)=C\C(NC)=C(/C)OC.
What is the InChIKey of (2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine?
The InChIKey is FCNURTDZWAJMLM-FFELTBSMSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-5-8(10)6-9(11-3)7(2)12-4/h6,11H,5H2,1-4H3/b8-6+,9-7-.
What are the key properties of (2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine?
(2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine has a molecular weight of 189.69 g/mol, XLogP of 2.62, 4 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-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 144906217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).