[4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol

C10H18ClNO2 — CID 106438351

IUPAC[4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol
SMILESCC(=CCl)CNC1(CO)CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-9(6-11)7-12-10(8-13)2-4-14-5-3-10/h6,12-13H,2-5,7-8H2,1H3
InChIKeyRPMYDGNTRVNGDY-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.26
Rot. Bonds4

About [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol

[4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol (PubChem CID 106438351) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol
PubChem CID106438351
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name[4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol
SMILESCC(=CCl)CNC1(CO)CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-9(6-11)7-12-10(8-13)2-4-14-5-3-10/h6,12-13H,2-5,7-8H2,1H3
InChIKeyRPMYDGNTRVNGDY-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol (CID 106438351) is [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol is CC(=CCl)CNC1(CO)CCOCC1.
What is the InChIKey of [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol?
The InChIKey is RPMYDGNTRVNGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-9(6-11)7-12-10(8-13)2-4-14-5-3-10/h6,12-13H,2-5,7-8H2,1H3.
What are the key properties of [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol?
[4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol has a molecular weight of 219.71 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-2-methylprop-2-enyl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106438351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).