2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate

C11H22N2O2 — CID 146470372

IUPAC2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate
SMILESCN(C)CCOC(=O)C1(N)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13(2)8-9-15-10(14)11(12)6-4-3-5-7-11/h3-9,12H2,1-2H3
InChIKeySXOGIFMMLIOREG-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate

2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate (PubChem CID 146470372) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate
PubChem CID146470372
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate
SMILESCN(C)CCOC(=O)C1(N)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13(2)8-9-15-10(14)11(12)6-4-3-5-7-11/h3-9,12H2,1-2H3
InChIKeySXOGIFMMLIOREG-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046844
propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
1-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 114127451
2-cyclopropylethyl 1-aminocyclopentane-1-carboxylate
CID 106202522
dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
CID 53312763
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
2-methylpropyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 21144157
1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986
1-amino-N-(3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 63008768

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate (CID 146470372) is 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate is CN(C)CCOC(=O)C1(N)CCCCC1.
What is the InChIKey of 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate?
The InChIKey is SXOGIFMMLIOREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(2)8-9-15-10(14)11(12)6-4-3-5-7-11/h3-9,12H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate?
2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 146470372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).