methyl N-(2-methylcyclohexyl)carbamate

C9H17NO2 — CID 58423091

IUPACmethyl N-(2-methylcyclohexyl)carbamate
SMILESCOC(=O)NC1CCCCC1C
InChIInChI=1S/C9H17NO2/c1-7-5-3-4-6-8(7)10-9(11)12-2/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyUKSCSHHLILNONJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.92
Rot. Bonds1

About methyl N-(2-methylcyclohexyl)carbamate

methyl N-(2-methylcyclohexyl)carbamate (PubChem CID 58423091) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl N-(2-methylcyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methylcyclohexyl)carbamate
PubChem CID58423091
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl N-(2-methylcyclohexyl)carbamate
SMILESCOC(=O)NC1CCCCC1C
InChIInChI=1S/C9H17NO2/c1-7-5-3-4-6-8(7)10-9(11)12-2/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyUKSCSHHLILNONJ-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
(2-methylcyclohexyl)urea
CID 3345444
methyl N-[(1S,2S)-2-iodocycloheptyl]carbamate
CID 134934490
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
methyl N-(1,2-dimethylpiperidin-3-yl)carbamate
CID 126988217
1-hydroxy-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 71970125
2-methoxy-2-methyl-N-(2-methylcycloheptyl)propanamide
CID 103714354
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylcyclohexyl)carbamate?
The IUPAC name of methyl N-(2-methylcyclohexyl)carbamate (CID 58423091) is methyl N-(2-methylcyclohexyl)carbamate.
What is the SMILES notation for methyl N-(2-methylcyclohexyl)carbamate?
The canonical SMILES for methyl N-(2-methylcyclohexyl)carbamate is COC(=O)NC1CCCCC1C.
What is the InChIKey of methyl N-(2-methylcyclohexyl)carbamate?
The InChIKey is UKSCSHHLILNONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-3-4-6-8(7)10-9(11)12-2/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of methyl N-(2-methylcyclohexyl)carbamate?
methyl N-(2-methylcyclohexyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylcyclohexyl)carbamate is sourced from PubChem (CID 58423091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).