(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen

C16H25N3O — CID 153331445

IUPAC(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen
SMILESCC1CNC(C)C(C(/C=N/Cc2ccccc2)=C/N)O1.[H][H]
InChIInChI=1S/C16H23N3O.H2/c1-12-9-19-13(2)16(20-12)15(8-17)11-18-10-14-6-4-3-5-7-14;/h3-8,11-13,16,19H,9-10,17H2,1-2H3;1H/b15-8+,18-11+;
InChIKeyUGECNJOQFZDPGU-AWFSODCZSA-N
MW275.40 g/mol
LogP2.11
Rot. Bonds4

About (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen

(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen (PubChem CID 153331445) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen
PubChem CID153331445
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen
SMILESCC1CNC(C)C(C(/C=N/Cc2ccccc2)=C/N)O1.[H][H]
InChIInChI=1S/C16H23N3O.H2/c1-12-9-19-13(2)16(20-12)15(8-17)11-18-10-14-6-4-3-5-7-14;/h3-8,11-13,16,19H,9-10,17H2,1-2H3;1H/b15-8+,18-11+;
InChIKeyUGECNJOQFZDPGU-AWFSODCZSA-N
XLogP2.11
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen?
The IUPAC name of (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen (CID 153331445) is (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen.
What is the SMILES notation for (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen?
The canonical SMILES for (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen is CC1CNC(C)C(C(/C=N/Cc2ccccc2)=C/N)O1.[H][H].
What is the InChIKey of (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen?
The InChIKey is UGECNJOQFZDPGU-AWFSODCZSA-N. The full InChI is InChI=1S/C16H23N3O.H2/c1-12-9-19-13(2)16(20-12)15(8-17)11-18-10-14-6-4-3-5-7-14;/h3-8,11-13,16,19H,9-10,17H2,1-2H3;1H/b15-8+,18-11+;.
What are the key properties of (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen?
(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen has a molecular weight of 275.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine;molecular hydrogen is sourced from PubChem (CID 153331445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).