methyl 2-(dimethylamino)cyclohexane-1-carboxylate

C10H19NO2 — CID 130193597

IUPACmethyl 2-(dimethylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1N(C)C
InChIInChI=1S/C10H19NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyLELBYPZCDXZXPJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(dimethylamino)cyclohexane-1-carboxylate

methyl 2-(dimethylamino)cyclohexane-1-carboxylate (PubChem CID 130193597) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(dimethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)cyclohexane-1-carboxylate
PubChem CID130193597
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(dimethylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1N(C)C
InChIInChI=1S/C10H19NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyLELBYPZCDXZXPJ-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[carbamimidoyl(methyl)amino]cyclohexane-1-carboxylate
CID 68909448
methyl 2-[(dimethylamino)methyl]cyclohexane-1-carboxylate
CID 145395402
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
trans-methyl (1S,2R)-2-formylcyclohexane-1-carboxylate
CID 11126697
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
trans-methyl (1R,2R)-2-(2-chloroacetyl)cyclohexane-1-carboxylate
CID 45081202
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-(dimethylamino)cyclohexane-1-carboxylate (CID 130193597) is methyl 2-(dimethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-(dimethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-(dimethylamino)cyclohexane-1-carboxylate is COC(=O)C1CCCCC1N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)cyclohexane-1-carboxylate?
The InChIKey is LELBYPZCDXZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-(dimethylamino)cyclohexane-1-carboxylate?
methyl 2-(dimethylamino)cyclohexane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 130193597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).