methyl N-[4-(methylamino)cyclohexyl]carbamate

C9H18N2O2 — CID 43653640

IUPACmethyl N-[4-(methylamino)cyclohexyl]carbamate
SMILESCNC1CCC(NC(=O)OC)CC1
InChIInChI=1S/C9H18N2O2/c1-10-7-3-5-8(6-4-7)11-9(12)13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyYPWSCQXBWKTYES-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds2

About methyl N-[4-(methylamino)cyclohexyl]carbamate

methyl N-[4-(methylamino)cyclohexyl]carbamate (PubChem CID 43653640) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl N-[4-(methylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(methylamino)cyclohexyl]carbamate
PubChem CID43653640
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl N-[4-(methylamino)cyclohexyl]carbamate
SMILESCNC1CCC(NC(=O)OC)CC1
InChIInChI=1S/C9H18N2O2/c1-10-7-3-5-8(6-4-7)11-9(12)13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyYPWSCQXBWKTYES-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
methyl N-[(3S)-3-acetylcyclopentyl]carbamate
CID 89494881
methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate
CID 89493028
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(methylamino)cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-(methylamino)cyclohexyl]carbamate (CID 43653640) is methyl N-[4-(methylamino)cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-(methylamino)cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-(methylamino)cyclohexyl]carbamate is CNC1CCC(NC(=O)OC)CC1.
What is the InChIKey of methyl N-[4-(methylamino)cyclohexyl]carbamate?
The InChIKey is YPWSCQXBWKTYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-7-3-5-8(6-4-7)11-9(12)13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of methyl N-[4-(methylamino)cyclohexyl]carbamate?
methyl N-[4-(methylamino)cyclohexyl]carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(methylamino)cyclohexyl]carbamate is sourced from PubChem (CID 43653640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).