N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine

C11H20N2O — CID 68543847

IUPACN-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CN1CCOCC1
InChIInChI=1S/C11H20N2O/c1-3-5-12(6-4-2)11-13-7-9-14-10-8-13/h3-4H,1-2,5-11H2
InChIKeyKOHKPLLYYQBQMP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds6

About N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine

N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 68543847) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID68543847
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CN1CCOCC1
InChIInChI=1S/C11H20N2O/c1-3-5-12(6-4-2)11-13-7-9-14-10-8-13/h3-4H,1-2,5-11H2
InChIKeyKOHKPLLYYQBQMP-UHFFFAOYSA-N
XLogP0.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (CID 68543847) is N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CN1CCOCC1.
What is the InChIKey of N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is KOHKPLLYYQBQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-12(6-4-2)11-13-7-9-14-10-8-13/h3-4H,1-2,5-11H2.
What are the key properties of N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 196.29 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 68543847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).