[4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol

C12H24N2O2 — CID 103071366

IUPAC[4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol
SMILESC=C(CNCCC)CN1CCOCC1CO
InChIInChI=1S/C12H24N2O2/c1-3-4-13-7-11(2)8-14-5-6-16-10-12(14)9-15/h12-13,15H,2-10H2,1H3
InChIKeyUIIYFIXNFHPOBB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.24
Rot. Bonds7

About [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol

[4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol (PubChem CID 103071366) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol
PubChem CID103071366
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol
SMILESC=C(CNCCC)CN1CCOCC1CO
InChIInChI=1S/C12H24N2O2/c1-3-4-13-7-11(2)8-14-5-6-16-10-12(14)9-15/h12-13,15H,2-10H2,1H3
InChIKeyUIIYFIXNFHPOBB-UHFFFAOYSA-N
XLogP0.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(Methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
CID 142163657
2-methyl-N-(3-morpholin-4-ylpropyl)prop-2-en-1-amine
CID 60684443
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propane-1,3-diol
CID 65314919
2-Methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,3-diol
CID 81962640
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
N-ethyl-2-(morpholin-4-ylmethyl)prop-2-en-1-amine
CID 103068809
N-tert-butyl-2-(morpholin-4-ylmethyl)prop-2-en-1-amine
CID 103068811
2-(morpholin-4-ylmethyl)-N-propylprop-2-en-1-amine
CID 103068812
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068843
2-[(2-methylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068864
N-methyl-2-[(3-methylmorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103069363
2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069364

Frequently Asked Questions

What is the IUPAC name of [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol (CID 103071366) is [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol is C=C(CNCCC)CN1CCOCC1CO.
What is the InChIKey of [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The InChIKey is UIIYFIXNFHPOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-13-7-11(2)8-14-5-6-16-10-12(14)9-15/h12-13,15H,2-10H2,1H3.
What are the key properties of [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
[4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol has a molecular weight of 228.34 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol is sourced from PubChem (CID 103071366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).