(3Z)-4-methoxyhexa-1,3,5-trien-3-amine

C7H11NO — CID 142048673

IUPAC(3Z)-4-methoxyhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C)OC
InChIInChI=1S/C7H11NO/c1-4-6(8)7(5-2)9-3/h4-5H,1-2,8H2,3H3/b7-6-
InChIKeyUYFVXKOPWNQIQI-SREVYHEPSA-N
MW125.17 g/mol
LogP1.18
Rot. Bonds3

About (3Z)-4-methoxyhexa-1,3,5-trien-3-amine

(3Z)-4-methoxyhexa-1,3,5-trien-3-amine (PubChem CID 142048673) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3Z)-4-methoxyhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-methoxyhexa-1,3,5-trien-3-amine
PubChem CID142048673
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3Z)-4-methoxyhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C)OC
InChIInChI=1S/C7H11NO/c1-4-6(8)7(5-2)9-3/h4-5H,1-2,8H2,3H3/b7-6-
InChIKeyUYFVXKOPWNQIQI-SREVYHEPSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.18
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)-5-fluoro-4-methoxyhexa-1,3,5-trien-2-amine
CID 144042138
(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine
CID 144625075
(3Z)-4-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146406829
(2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine
CID 143415585
(3E)-5-methoxy-6-methylhepta-1,3,5-trien-3-amine
CID 88235023
(2E)-4-methoxypenta-2,4-dien-2-amine
CID 88529526
(3E,5E)-6-methoxyhepta-1,3,5-trien-3-amine
CID 88997185
(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-amine
CID 117686505
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791
(3Z)-5-methoxyhexa-1,3,5-trien-2-amine
CID 129065249
(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine
CID 129115465
(3E)-3-methoxyhexa-1,3,5-trien-2-amine
CID 130183715

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methoxyhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-methoxyhexa-1,3,5-trien-3-amine (CID 142048673) is (3Z)-4-methoxyhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-methoxyhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-methoxyhexa-1,3,5-trien-3-amine is C=C/C(N)=C(\C=C)OC.
What is the InChIKey of (3Z)-4-methoxyhexa-1,3,5-trien-3-amine?
The InChIKey is UYFVXKOPWNQIQI-SREVYHEPSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-6(8)7(5-2)9-3/h4-5H,1-2,8H2,3H3/b7-6-.
What are the key properties of (3Z)-4-methoxyhexa-1,3,5-trien-3-amine?
(3Z)-4-methoxyhexa-1,3,5-trien-3-amine has a molecular weight of 125.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methoxyhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 142048673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).