tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride

C13H27ClN2O2 — CID 18397394

IUPACtert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
SMILESCNC1CCC(N(C)C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-13(2,3)17-12(16)15(5)11-8-6-10(14-4)7-9-11;/h10-11,14H,6-9H2,1-5H3;1H
InChIKeyYFLDIUZAGDAGQM-UHFFFAOYSA-N
MW278.82 g/mol
LogP2.81
Rot. Bonds2

About tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride

tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride (PubChem CID 18397394) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
PubChem CID18397394
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Nametert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
SMILESCNC1CCC(N(C)C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-13(2,3)17-12(16)15(5)11-8-6-10(14-4)7-9-11;/h10-11,14H,6-9H2,1-5H3;1H
InChIKeyYFLDIUZAGDAGQM-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
CID 107255892
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
CID 107255820
tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255901
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
tert-butyl N-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]cyclohexyl]-N-methylcarbamate
CID 107255756
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]propanoic acid
CID 22567910
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride (CID 18397394) is tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride is CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1.Cl.
What is the InChIKey of tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride?
The InChIKey is YFLDIUZAGDAGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-13(2,3)17-12(16)15(5)11-8-6-10(14-4)7-9-11;/h10-11,14H,6-9H2,1-5H3;1H.
What are the key properties of tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride?
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride is sourced from PubChem (CID 18397394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).