(2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine

C12H20N2O — CID 88905167

IUPAC(2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CN1CCOCC1)\C(N)=C/C
InChIInChI=1S/C12H20N2O/c1-3-5-11(12(13)4-2)10-14-6-8-15-9-7-14/h3-5H,1,6-10,13H2,2H3/b11-5-,12-4+
InChIKeyFEPCVHLBOHXGLA-FYXNRHCTSA-N
MW208.31 g/mol
LogP1.29
Rot. Bonds4

About (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine

(2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine (PubChem CID 88905167) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine
PubChem CID88905167
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CN1CCOCC1)\C(N)=C/C
InChIInChI=1S/C12H20N2O/c1-3-5-11(12(13)4-2)10-14-6-8-15-9-7-14/h3-5H,1,6-10,13H2,2H3/b11-5-,12-4+
InChIKeyFEPCVHLBOHXGLA-FYXNRHCTSA-N
XLogP1.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.29
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-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine (CID 88905167) is (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine is C=C/C=C(CN1CCOCC1)\C(N)=C/C.
What is the InChIKey of (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine?
The InChIKey is FEPCVHLBOHXGLA-FYXNRHCTSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-11(12(13)4-2)10-14-6-8-15-9-7-14/h3-5H,1,6-10,13H2,2H3/b11-5-,12-4+.
What are the key properties of (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine?
(2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-(morpholin-4-ylmethyl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 88905167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).