(1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine

C12H20N2O — CID 89337471

IUPAC(1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C=C/N)CN1CCOCC1
InChIInChI=1S/C12H20N2O/c1-2-4-12(5-3-6-13)11-14-7-9-15-10-8-14/h2-6H,7-11,13H2,1H3/b4-2-,6-3+,12-5+
InChIKeyIOTGPTQOXMLDFN-VMMVVCKDSA-N
MW208.31 g/mol
LogP1.29
Rot. Bonds4

About (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine

(1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine (PubChem CID 89337471) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine
PubChem CID89337471
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C=C/N)CN1CCOCC1
InChIInChI=1S/C12H20N2O/c1-2-4-12(5-3-6-13)11-14-7-9-15-10-8-14/h2-6H,7-11,13H2,1H3/b4-2-,6-3+,12-5+
InChIKeyIOTGPTQOXMLDFN-VMMVVCKDSA-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 (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine (CID 89337471) is (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine is C/C=C\C(=C/C=C/N)CN1CCOCC1.
What is the InChIKey of (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine?
The InChIKey is IOTGPTQOXMLDFN-VMMVVCKDSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-4-12(5-3-6-13)11-14-7-9-15-10-8-14/h2-6H,7-11,13H2,1H3/b4-2-,6-3+,12-5+.
What are the key properties of (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine?
(1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-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 (1E,3E,5Z)-4-(morpholin-4-ylmethyl)hepta-1,3,5-trien-1-amine is sourced from PubChem (CID 89337471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).