(1Z,3E)-3-methoxypenta-1,3-dien-1-amine

C6H11NO — CID 129113130

IUPAC(1Z,3E)-3-methoxypenta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)OC
InChIInChI=1S/C6H11NO/c1-3-6(8-2)4-5-7/h3-5H,7H2,1-2H3/b5-4-,6-3+
InChIKeyXPGJZAADYYKTCR-XNYOYJNRSA-N
MW113.16 g/mol
LogP1.01
Rot. Bonds2

About (1Z,3E)-3-methoxypenta-1,3-dien-1-amine

(1Z,3E)-3-methoxypenta-1,3-dien-1-amine (PubChem CID 129113130) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1Z,3E)-3-methoxypenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-methoxypenta-1,3-dien-1-amine
PubChem CID129113130
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1Z,3E)-3-methoxypenta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)OC
InChIInChI=1S/C6H11NO/c1-3-6(8-2)4-5-7/h3-5H,7H2,1-2H3/b5-4-,6-3+
InChIKeyXPGJZAADYYKTCR-XNYOYJNRSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.01
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

2-Propoxy-2-propenylidene methanaminium
CID 20980264
(1Z,3Z)-3-fluoro-4-methoxyhexa-1,3,5-trien-1-amine
CID 89143650
4-Methoxy-1,2-dihydropyridine
CID 19045948
3-methoxy-1H-azepine
CID 19710579
4-Methoxy-1,2-dihydropyridin-1-ium
CID 53939719
(1E)-3-methoxy-N-phosphanylbuta-1,3-dien-1-amine
CID 57531007
(E)-pyran-2-ylidenemethanamine
CID 70262349
Pyran-2-ylidenemethanamine
CID 70262351
(1Z,3E)-3-iodo-5-methoxyhexa-1,3,5-trien-1-amine
CID 87085183
(1Z)-3-ethoxybuta-1,3-dien-1-amine
CID 88563912
(3E)-4-methoxyhexa-1,3,5-triene-1,1-diamine
CID 88888144
(1Z,3Z)-5-methoxypenta-1,3-dien-1-amine
CID 88935764

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-methoxypenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-methoxypenta-1,3-dien-1-amine (CID 129113130) is (1Z,3E)-3-methoxypenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-methoxypenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-methoxypenta-1,3-dien-1-amine is C/C=C(\C=C/N)OC.
What is the InChIKey of (1Z,3E)-3-methoxypenta-1,3-dien-1-amine?
The InChIKey is XPGJZAADYYKTCR-XNYOYJNRSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(8-2)4-5-7/h3-5H,7H2,1-2H3/b5-4-,6-3+.
What are the key properties of (1Z,3E)-3-methoxypenta-1,3-dien-1-amine?
(1Z,3E)-3-methoxypenta-1,3-dien-1-amine has a molecular weight of 113.16 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-methoxypenta-1,3-dien-1-amine is sourced from PubChem (CID 129113130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).