(2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine

C14H24N2O — CID 88905269

IUPAC(2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CN1CCOCC1(C)C)\C(N)=C/C
InChIInChI=1S/C14H24N2O/c1-5-7-12(13(15)6-2)10-16-8-9-17-11-14(16,3)4/h5-7H,1,8-11,15H2,2-4H3/b12-7-,13-6+
InChIKeyURAQIZKYVMLWFF-UNUUJLFKSA-N
MW236.36 g/mol
LogP2.07
Rot. Bonds4

About (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine

(2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine (PubChem CID 88905269) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
PubChem CID88905269
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CN1CCOCC1(C)C)\C(N)=C/C
InChIInChI=1S/C14H24N2O/c1-5-7-12(13(15)6-2)10-16-8-9-17-11-14(16,3)4/h5-7H,1,8-11,15H2,2-4H3/b12-7-,13-6+
InChIKeyURAQIZKYVMLWFF-UNUUJLFKSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.07
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 (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine (CID 88905269) is (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine is C=C/C=C(CN1CCOCC1(C)C)\C(N)=C/C.
What is the InChIKey of (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine?
The InChIKey is URAQIZKYVMLWFF-UNUUJLFKSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-7-12(13(15)6-2)10-16-8-9-17-11-14(16,3)4/h5-7H,1,8-11,15H2,2-4H3/b12-7-,13-6+.
What are the key properties of (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine?
(2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine has a molecular weight of 236.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-[(3,3-dimethylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 88905269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).