2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile

C10H18N2O2 — CID 114949348

IUPAC2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile
SMILESCC(C#N)N(C)CC1(O)CCOCC1
InChIInChI=1S/C10H18N2O2/c1-9(7-11)12(2)8-10(13)3-5-14-6-4-10/h9,13H,3-6,8H2,1-2H3
InChIKeyDYVCLNLHDWQNPL-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.37
Rot. Bonds3

About 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile

2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile (PubChem CID 114949348) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile
PubChem CID114949348
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile
SMILESCC(C#N)N(C)CC1(O)CCOCC1
InChIInChI=1S/C10H18N2O2/c1-9(7-11)12(2)8-10(13)3-5-14-6-4-10/h9,13H,3-6,8H2,1-2H3
InChIKeyDYVCLNLHDWQNPL-UHFFFAOYSA-N
XLogP0.37
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
ethyl 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanoate
CID 114950204
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114949096
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethyl-3-sulfanylidenepropanamide
CID 114949415
4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol
CID 114948583
methyl N'-cyano-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamimidothioate
CID 104985370
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 114952822
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]oxan-4-ol
CID 114948472
4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol
CID 114950482
4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
CID 114948371

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile (CID 114949348) is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile is CC(C#N)N(C)CC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile?
The InChIKey is DYVCLNLHDWQNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(7-11)12(2)8-10(13)3-5-14-6-4-10/h9,13H,3-6,8H2,1-2H3.
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile?
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile has a molecular weight of 198.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanenitrile is sourced from PubChem (CID 114949348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).