methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride

C9H18ClNO3 — CID 67267082

IUPACmethyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
SMILESCOC(=O)NC1CCC(OC)CC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-12-8-5-3-7(4-6-8)10-9(11)13-2;/h7-8H,3-6H2,1-2H3,(H,10,11);1H
InChIKeyKJIZWGLEFDWTPM-UHFFFAOYSA-N
MW223.70 g/mol
LogP1.72
Rot. Bonds2

About methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride

methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride (PubChem CID 67267082) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
PubChem CID67267082
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Namemethyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
SMILESCOC(=O)NC1CCC(OC)CC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-12-8-5-3-7(4-6-8)10-9(11)13-2;/h7-8H,3-6H2,1-2H3,(H,10,11);1H
InChIKeyKJIZWGLEFDWTPM-UHFFFAOYSA-N
XLogP1.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxycyclohexyl)carbamic acid
CID 68557751
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-cyclohexadecylcarbamate
CID 131977131
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate
CID 141073755
methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride?
The IUPAC name of methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride (CID 67267082) is methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride.
What is the SMILES notation for methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride?
The canonical SMILES for methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride is COC(=O)NC1CCC(OC)CC1.Cl.
What is the InChIKey of methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride?
The InChIKey is KJIZWGLEFDWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-12-8-5-3-7(4-6-8)10-9(11)13-2;/h7-8H,3-6H2,1-2H3,(H,10,11);1H.
What are the key properties of methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride?
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride is sourced from PubChem (CID 67267082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).