3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine

C11H22N2O — CID 103604819

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
SMILESCC(C)=CCNCCN1CCOCC1
InChIInChI=1S/C11H22N2O/c1-11(2)3-4-12-5-6-13-7-9-14-10-8-13/h3,12H,4-10H2,1-2H3
InChIKeyKYMFNIIWXMACOV-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.87
Rot. Bonds5

About 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine

3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine (PubChem CID 103604819) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
PubChem CID103604819
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine
SMILESCC(C)=CCNCCN1CCOCC1
InChIInChI=1S/C11H22N2O/c1-11(2)3-4-12-5-6-13-7-9-14-10-8-13/h3,12H,4-10H2,1-2H3
InChIKeyKYMFNIIWXMACOV-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(Piperazin-1-ylmethyl)prop-2-enyl]morpholine
CID 18547057
4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine
CID 18547063
(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
N-2-Propen-1-yl-4-morpholineethanamine
CID 28563520
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
4-(4-Piperazin-1-ylbut-2-enyl)morpholine
CID 57292661
N-(2-morpholin-4-ylethyl)prop-1-en-1-amine
CID 57636132
N-(2-ethoxyethyl)-3-methylbut-2-en-1-amine
CID 60061035
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-en-1-amine
CID 60687136
1-(2-Ethoxyprop-2-enyl)piperazine
CID 67489662
4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
CID 68543856
4-[2-(Piperazin-1-ylmethyl)but-2-enyl]morpholine
CID 70024960

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine (CID 103604819) is 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine is CC(C)=CCNCCN1CCOCC1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine?
The InChIKey is KYMFNIIWXMACOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)3-4-12-5-6-13-7-9-14-10-8-13/h3,12H,4-10H2,1-2H3.
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine?
3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)but-2-en-1-amine is sourced from PubChem (CID 103604819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).