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

C9H18N2O2 — CID 103071365

IUPAC[4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol
SMILESC=C(CN)CN1CCOCC1CO
InChIInChI=1S/C9H18N2O2/c1-8(4-10)5-11-2-3-13-7-9(11)6-12/h9,12H,1-7,10H2
InChIKeyZOWVLVRSSBKCPB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.81
Rot. Bonds4

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

[4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol (PubChem CID 103071365) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol
PubChem CID103071365
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol
SMILESC=C(CN)CN1CCOCC1CO
InChIInChI=1S/C9H18N2O2/c1-8(4-10)5-11-2-3-13-7-9(11)6-12/h9,12H,1-7,10H2
InChIKeyZOWVLVRSSBKCPB-UHFFFAOYSA-N
XLogP-0.81
TPSA58.72 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 ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-Aminopropyl)morpholin-3-yl]methanol
CID 83816539
(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
N-methyl-2-[(3-methylmorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103069363
2-[(3-Methylmorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103069366
2-[(3-Ethylmorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103069470
[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-[(Cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol
CID 103071367
3-Methoxy-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 108412228

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol (CID 103071365) is [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol is C=C(CN)CN1CCOCC1CO.
What is the InChIKey of [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The InChIKey is ZOWVLVRSSBKCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(4-10)5-11-2-3-13-7-9(11)6-12/h9,12H,1-7,10H2.
What are the key properties of [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
[4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)prop-2-enyl]morpholin-3-yl]methanol is sourced from PubChem (CID 103071365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).