1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol

C9H18N2O2 — CID 142163657

IUPAC1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
SMILESC=C(CN1CCOCC1)C(O)NC
InChIInChI=1S/C9H18N2O2/c1-8(9(12)10-2)7-11-3-5-13-6-4-11/h9-10,12H,1,3-7H2,2H3
InChIKeyYKPIGUSILHAHKQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.59
Rot. Bonds4

About 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol

1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol (PubChem CID 142163657) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
PubChem CID142163657
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
SMILESC=C(CN1CCOCC1)C(O)NC
InChIInChI=1S/C9H18N2O2/c1-8(9(12)10-2)7-11-3-5-13-6-4-11/h9-10,12H,1,3-7H2,2H3
InChIKeyYKPIGUSILHAHKQ-UHFFFAOYSA-N
XLogP-0.59
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-Aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol
CID 145112170
(1S)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
CID 97049747
(1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
CID 97049748
[4-[2-(Methylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol
CID 103071362
[4-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol
CID 103071363
[4-[2-(Ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol
CID 103071364
[4-[2-(Propylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol
CID 103071366
[4-[2-[(Tert-butylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol
CID 113771746
1-(2-Methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol?
The IUPAC name of 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol (CID 142163657) is 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol?
The canonical SMILES for 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol is C=C(CN1CCOCC1)C(O)NC.
What is the InChIKey of 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol?
The InChIKey is YKPIGUSILHAHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(9(12)10-2)7-11-3-5-13-6-4-11/h9-10,12H,1,3-7H2,2H3.
What are the key properties of 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol?
1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol is sourced from PubChem (CID 142163657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).