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

C12H24N2O — CID 20529045

IUPAC(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
SMILESC/C=C(\C)CNCCCN1CCOCC1
InChIInChI=1S/C12H24N2O/c1-3-12(2)11-13-5-4-6-14-7-9-15-10-8-14/h3,13H,4-11H2,1-2H3/b12-3+
InChIKeyINRDQLXUYSQHKW-KGVSQERTSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

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

(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine (PubChem CID 20529045) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
PubChem CID20529045
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
SMILESC/C=C(\C)CNCCCN1CCOCC1
InChIInChI=1S/C12H24N2O/c1-3-12(2)11-13-5-4-6-14-7-9-15-10-8-14/h3,13H,4-11H2,1-2H3/b12-3+
InChIKeyINRDQLXUYSQHKW-KGVSQERTSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
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

3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
CID 72671760
(6Z)-3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 156020897
3-(Allylamino)-2-(morpholinomethyl)propanenitrile
CID 168654942
4-(2-Methyl-2-buten-1-yl)morpholine
CID 15727621
4-[2-(Piperazin-1-ylmethyl)prop-2-enyl]morpholine
CID 18547057
4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine
CID 18547063
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
4-(2-Methylbut-2-en-1-yl)morpholine
CID 57358029
N-(2-ethoxyethyl)-3-methylbut-2-en-1-amine
CID 60061035
(2E,6E)-3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 60168425
(2E)-3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
CID 60168518
3-morpholin-4-yl-N-prop-2-enylpropan-1-amine
CID 60684409

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine?
The IUPAC name of (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine (CID 20529045) is (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine is C/C=C(\C)CNCCCN1CCOCC1.
What is the InChIKey of (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine?
The InChIKey is INRDQLXUYSQHKW-KGVSQERTSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-12(2)11-13-5-4-6-14-7-9-15-10-8-14/h3,13H,4-11H2,1-2H3/b12-3+.
What are the key properties of (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine?
(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine is sourced from PubChem (CID 20529045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).