4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol

C11H22N2O2 — CID 103071417

IUPAC4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol
SMILESC=C(CN)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(7-12)8-13(2)9-11(14)3-5-15-6-4-11/h14H,1,3-9,12H2,2H3
InChIKeyQUQPMYCVJXHDEP-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.03
Rot. Bonds5

About 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol

4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol (PubChem CID 103071417) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol
PubChem CID103071417
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol
SMILESC=C(CN)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(7-12)8-13(2)9-11(14)3-5-15-6-4-11/h14H,1,3-9,12H2,2H3
InChIKeyQUQPMYCVJXHDEP-UHFFFAOYSA-N
XLogP-0.03
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.03
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-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
ethyl 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]prop-2-enoate
CID 114950217
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
CID 115749275
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
methyl 2-bromo-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanoate
CID 114950227
4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol
CID 114950482
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol (CID 103071417) is 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol is C=C(CN)CN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol?
The InChIKey is QUQPMYCVJXHDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(7-12)8-13(2)9-11(14)3-5-15-6-4-11/h14H,1,3-9,12H2,2H3.
What are the key properties of 4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol?
4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol has a molecular weight of 214.31 g/mol, XLogP of -0.03, 5 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-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 103071417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).