methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride

C9H18ClNO2 — CID 69476326

IUPACmethyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride
SMILESCNC1(C(=O)OC)CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-10-9(8(11)12-2)6-4-3-5-7-9;/h10H,3-7H2,1-2H3;1H
InChIKeyZTMQLMKTECKJBX-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.50
Rot. Bonds2

About methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride

methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride (PubChem CID 69476326) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride
PubChem CID69476326
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride
SMILESCNC1(C(=O)OC)CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-10-9(8(11)12-2)6-4-3-5-7-9;/h10H,3-7H2,1-2H3;1H
InChIKeyZTMQLMKTECKJBX-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methylamino)cyclohexanecarboxylic acid
CID 228213
Methyl 1-(methylamino)cyclohexane-1-carboxylate
CID 21303779
Methyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 22645079
Methyl 2-methylpiperidine-2-carboxylate--hydrogen chloride (1/1)
CID 56773802
Methyl 1-(methylamino)cyclopentane-1-carboxylate
CID 58765287
Methyl 2-methylazepane-2-carboxylate hydrochloride
CID 132300845
Methyl 2-(1-(methylamino)cyclohexyl)acetate hydrochloride
CID 155943835
Methyl 2-(4,4-difluorocyclohexyl)-2-(methylamino)acetate
CID 58137875
Methyl 1-(methylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64756096
Methyl 2-(1-(methylamino)cyclohexyl)acetate
CID 65234883
Methyl 4,4-difluoro-1-(methylamino)cyclohexane-1-carboxylate
CID 89503025
Methyl 2-(methylamino)-2-(trifluoromethyl)heptanoate
CID 147288259

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride (CID 69476326) is methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride is CNC1(C(=O)OC)CCCCC1.Cl.
What is the InChIKey of methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is ZTMQLMKTECKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-10-9(8(11)12-2)6-4-3-5-7-9;/h10H,3-7H2,1-2H3;1H.
What are the key properties of methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride?
methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 69476326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).