2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine

C11H22N2O — CID 103068812

IUPAC2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCOCC1
InChIInChI=1S/C11H22N2O/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h12H,2-10H2,1H3
InChIKeyRGHJVBSNJAYGME-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.87
Rot. Bonds6

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

2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine (PubChem CID 103068812) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine
PubChem CID103068812
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCOCC1
InChIInChI=1S/C11H22N2O/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h12H,2-10H2,1H3
InChIKeyRGHJVBSNJAYGME-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
N-methyl-3-morpholinopropan-1-amine
CID 22594078
3-(Allylamino)-2-(morpholinomethyl)propanenitrile
CID 168654942
4-[2-(Piperazin-1-ylmethyl)prop-2-enyl]morpholine
CID 18547057
4-[(Z)-2-(piperazin-1-ylmethyl)but-2-enyl]morpholine
CID 18547063
N-propyl-4-Morpholinepropanamine
CID 20218297
(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
4-(2-Methylprop-1-enyl)morpholin-4-ium
CID 20655826
N-Ethyl-3-(4-morpholinyl)-1-propanamine
CID 23009178
4-Methyl-4-(2-methylprop-2-enyl)morpholin-4-ium
CID 23062109
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine (CID 103068812) is 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine?
The InChIKey is RGHJVBSNJAYGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h12H,2-10H2,1H3.
What are the key properties of 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine?
2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103068812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).