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

C8H14ClNO — CID 163754759

IUPAC(2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine
SMILESCC/C(Cl)=C(N)\C=C(/C)OC
InChIInChI=1S/C8H14ClNO/c1-4-7(9)8(10)5-6(2)11-3/h5H,4,10H2,1-3H3/b6-5+,8-7-
InChIKeyLTCBCUBFFIRZRL-MDAAKZFYSA-N
MW175.66 g/mol
LogP2.36
Rot. Bonds3

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

(2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine (PubChem CID 163754759) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine
PubChem CID163754759
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine
SMILESCC/C(Cl)=C(N)\C=C(/C)OC
InChIInChI=1S/C8H14ClNO/c1-4-7(9)8(10)5-6(2)11-3/h5H,4,10H2,1-3H3/b6-5+,8-7-
InChIKeyLTCBCUBFFIRZRL-MDAAKZFYSA-N
XLogP2.36
TPSA35.25 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 ≤ 52.36
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,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
CID 142597245
(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine
CID 145234596
(3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine
CID 163639655
(2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine
CID 166129434
(3E,5Z)-6-methoxyhepta-3,5-dien-3-amine
CID 167067110
2-Chloro-5-methoxycyclohexa-1,5-dien-1-amine
CID 173226831
(2Z,4E)-5-chloro-2-methoxy-N-methylhepta-2,4-dien-3-amine
CID 144906217

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine?
The IUPAC name of (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine (CID 163754759) is (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine is CC/C(Cl)=C(N)\C=C(/C)OC.
What is the InChIKey of (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine?
The InChIKey is LTCBCUBFFIRZRL-MDAAKZFYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-4-7(9)8(10)5-6(2)11-3/h5H,4,10H2,1-3H3/b6-5+,8-7-.
What are the key properties of (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine?
(2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine has a molecular weight of 175.66 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-chloro-2-methoxyhepta-2,4-dien-4-amine is sourced from PubChem (CID 163754759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).