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

C15H26N2O — CID 134340952

IUPAC(3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
SMILESC=CN(CC)/C(C(=C)N1CCOCC1)=C(/C)CC
InChIInChI=1S/C15H26N2O/c1-6-13(4)15(16(7-2)8-3)14(5)17-9-11-18-12-10-17/h7H,2,5-6,8-12H2,1,3-4H3/b15-13-
InChIKeyCKYPYAFSMGXXBY-SQFISAMPSA-N
MW250.39 g/mol
LogP2.98
Rot. Bonds6

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

(3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine (PubChem CID 134340952) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
PubChem CID134340952
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
SMILESC=CN(CC)/C(C(=C)N1CCOCC1)=C(/C)CC
InChIInChI=1S/C15H26N2O/c1-6-13(4)15(16(7-2)8-3)14(5)17-9-11-18-12-10-17/h7H,2,5-6,8-12H2,1,3-4H3/b15-13-
InChIKeyCKYPYAFSMGXXBY-SQFISAMPSA-N
XLogP2.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
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-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The IUPAC name of (3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine (CID 134340952) is (3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The canonical SMILES for (3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine is C=CN(CC)/C(C(=C)N1CCOCC1)=C(/C)CC.
What is the InChIKey of (3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The InChIKey is CKYPYAFSMGXXBY-SQFISAMPSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-13(4)15(16(7-2)8-3)14(5)17-9-11-18-12-10-17/h7H,2,5-6,8-12H2,1,3-4H3/b15-13-.
What are the key properties of (3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
(3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine has a molecular weight of 250.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-N-ethyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine is sourced from PubChem (CID 134340952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).