methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate

C10H19NO3 — CID 110292599

IUPACmethyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-9(13)11-7-10(8-12)5-3-2-4-6-10/h12H,2-8H2,1H3,(H,11,13)
InChIKeyIBMXPRHHZCVUPH-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.29
Rot. Bonds3

About methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate

methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate (PubChem CID 110292599) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
PubChem CID110292599
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-9(13)11-7-10(8-12)5-3-2-4-6-10/h12H,2-8H2,1H3,(H,11,13)
InChIKeyIBMXPRHHZCVUPH-UHFFFAOYSA-N
XLogP1.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
CID 19883848
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide
CID 103966706
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate?
The IUPAC name of methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate (CID 110292599) is methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate is COC(=O)NCC1(CO)CCCCC1.
What is the InChIKey of methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate?
The InChIKey is IBMXPRHHZCVUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-9(13)11-7-10(8-12)5-3-2-4-6-10/h12H,2-8H2,1H3,(H,11,13).
What are the key properties of methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate?
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 110292599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).