1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine

C13H22N2O — CID 89255240

IUPAC1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine
SMILESC=C/C=C\C=C/CN1CCOC(CNC)C1
InChIInChI=1S/C13H22N2O/c1-3-4-5-6-7-8-15-9-10-16-13(12-15)11-14-2/h3-7,13-14H,1,8-12H2,2H3/b5-4-,7-6-
InChIKeyPWFCCHHTHALVDM-RZSVFLSASA-N
MW222.33 g/mol
LogP1.21
Rot. Bonds6

About 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine

1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine (PubChem CID 89255240) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine
PubChem CID89255240
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine
SMILESC=C/C=C\C=C/CN1CCOC(CNC)C1
InChIInChI=1S/C13H22N2O/c1-3-4-5-6-7-8-15-9-10-16-13(12-15)11-14-2/h3-7,13-14H,1,8-12H2,2H3/b5-4-,7-6-
InChIKeyPWFCCHHTHALVDM-RZSVFLSASA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.21
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 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine (CID 89255240) is 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine is C=C/C=C\C=C/CN1CCOC(CNC)C1.
What is the InChIKey of 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine?
The InChIKey is PWFCCHHTHALVDM-RZSVFLSASA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-4-5-6-7-8-15-9-10-16-13(12-15)11-14-2/h3-7,13-14H,1,8-12H2,2H3/b5-4-,7-6-.
What are the key properties of 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine?
1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine has a molecular weight of 222.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 89255240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).