(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine

C11H18N2O — CID 144915417

IUPAC(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)CN1CCOCC1
InChIInChI=1S/C11H18N2O/c1-10(3-4-11(2)12)9-13-5-7-14-8-6-13/h3-4H,1-2,5-9,12H2/b4-3-
InChIKeyMEXAXXKDULXSTI-ARJAWSKDSA-N
MW194.28 g/mol
LogP0.90
Rot. Bonds4

About (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine

(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine (PubChem CID 144915417) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine
PubChem CID144915417
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)CN1CCOCC1
InChIInChI=1S/C11H18N2O/c1-10(3-4-11(2)12)9-13-5-7-14-8-6-13/h3-4H,1-2,5-9,12H2/b4-3-
InChIKeyMEXAXXKDULXSTI-ARJAWSKDSA-N
XLogP0.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.90
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 (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine (CID 144915417) is (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)CN1CCOCC1.
What is the InChIKey of (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is MEXAXXKDULXSTI-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(3-4-11(2)12)9-13-5-7-14-8-6-13/h3-4H,1-2,5-9,12H2/b4-3-.
What are the key properties of (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine?
(3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 194.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(morpholin-4-ylmethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144915417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).