(3Z)-5-methoxyhexa-1,3,5-trien-2-amine

C7H11NO — CID 129065249

IUPAC(3Z)-5-methoxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC
InChIInChI=1S/C7H11NO/c1-6(8)4-5-7(2)9-3/h4-5H,1-2,8H2,3H3/b5-4-
InChIKeyYBOTWDAIHDNQQT-PLNGDYQASA-N
MW125.17 g/mol
LogP1.18
Rot. Bonds3

About (3Z)-5-methoxyhexa-1,3,5-trien-2-amine

(3Z)-5-methoxyhexa-1,3,5-trien-2-amine (PubChem CID 129065249) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3Z)-5-methoxyhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-methoxyhexa-1,3,5-trien-2-amine
PubChem CID129065249
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3Z)-5-methoxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC
InChIInChI=1S/C7H11NO/c1-6(8)4-5-7(2)9-3/h4-5H,1-2,8H2,3H3/b5-4-
InChIKeyYBOTWDAIHDNQQT-PLNGDYQASA-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

2H-pyran-4-amine
CID 17791271
5-Aminopyran
CID 17803894
(2E,4E)-5-fluoro-6-methoxyhepta-2,4,6-trien-3-amine
CID 89074120
(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 126604387
(3E)-5-ethoxy-4-fluorohexa-1,3,5-trien-2-amine
CID 142348734
(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 142875988
(3E)-5-fluoro-4-methoxyhexa-1,3,5-trien-2-amine
CID 144042138
(3E)-3-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 144251334
(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine
CID 144625075
(2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine
CID 143415585
2H-pyran-4-amine;hydrochloride
CID 17791270
4-Methoxybenzene-3,5-diid-1-amine;bis(yttrium)
CID 58108283

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methoxyhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-methoxyhexa-1,3,5-trien-2-amine (CID 129065249) is (3Z)-5-methoxyhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-methoxyhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-methoxyhexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)OC.
What is the InChIKey of (3Z)-5-methoxyhexa-1,3,5-trien-2-amine?
The InChIKey is YBOTWDAIHDNQQT-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11NO/c1-6(8)4-5-7(2)9-3/h4-5H,1-2,8H2,3H3/b5-4-.
What are the key properties of (3Z)-5-methoxyhexa-1,3,5-trien-2-amine?
(3Z)-5-methoxyhexa-1,3,5-trien-2-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)-5-methoxyhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 129065249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).