(3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine

C13H22N2O — CID 134340683

IUPAC(3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
SMILESC=CN/C(C(=C)N1CCOCC1)=C(/C)CC
InChIInChI=1S/C13H22N2O/c1-5-11(3)13(14-6-2)12(4)15-7-9-16-10-8-15/h6,14H,2,4-5,7-10H2,1,3H3/b13-11-
InChIKeyQQEGTMIESRTBBF-QBFSEMIESA-N
MW222.33 g/mol
LogP2.25
Rot. Bonds5

About (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine

(3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine (PubChem CID 134340683) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
PubChem CID134340683
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
SMILESC=CN/C(C(=C)N1CCOCC1)=C(/C)CC
InChIInChI=1S/C13H22N2O/c1-5-11(3)13(14-6-2)12(4)15-7-9-16-10-8-15/h6,14H,2,4-5,7-10H2,1,3H3/b13-11-
InChIKeyQQEGTMIESRTBBF-QBFSEMIESA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The IUPAC name of (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine (CID 134340683) is (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The canonical SMILES for (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine is C=CN/C(C(=C)N1CCOCC1)=C(/C)CC.
What is the InChIKey of (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The InChIKey is QQEGTMIESRTBBF-QBFSEMIESA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-11(3)13(14-6-2)12(4)15-7-9-16-10-8-15/h6,14H,2,4-5,7-10H2,1,3H3/b13-11-.
What are the key properties of (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
(3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine has a molecular weight of 222.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine is sourced from PubChem (CID 134340683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).