[(1R,2S)-2-aminocyclohexyl] ethyl carbonate

C9H17NO3 — CID 70041811

IUPAC[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
SMILESCCOC(=O)O[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C9H17NO3/c1-2-12-9(11)13-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKeyZHNWEXASMHHSRE-JGVFFNPUSA-N
MW187.24 g/mol
LogP1.43
Rot. Bonds2

About [(1R,2S)-2-aminocyclohexyl] ethyl carbonate

[(1R,2S)-2-aminocyclohexyl] ethyl carbonate (PubChem CID 70041811) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclohexyl] ethyl carbonate.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
PubChem CID70041811
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
SMILESCCOC(=O)O[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C9H17NO3/c1-2-12-9(11)13-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKeyZHNWEXASMHHSRE-JGVFFNPUSA-N
XLogP1.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethoxycyclohexan-1-amine
CID 10866620
2-(2,2,2-Trifluoroethoxymethoxy)cyclohexan-1-amine
CID 106938954
2-Aminocyclohexyl acetate--hydrogen chloride (1/1)
CID 24195566
(2-Aminocyclohexyl) acetate
CID 426400
[(1R,2R)-2-aminocyclohexyl] acetate
CID 15619845
5-Amino-4-dodecyl-1,3-dioxan-2-one
CID 18996060
(3-Aminocyclohexyl) ethyl carbonate
CID 21693999
(4-Aminocyclohexyl) ethyl carbonate
CID 21694026
(4-Aminocyclohexyl) methyl carbonate
CID 21805038
N-chloro-2,2-dimethoxycyclohexan-1-amine
CID 23539850
(2-Aminocyclohexyl) propanoate
CID 57232417
2-Aminoethyl cyclohexyl carbonate
CID 58684752

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclohexyl] ethyl carbonate?
The IUPAC name of [(1R,2S)-2-aminocyclohexyl] ethyl carbonate (CID 70041811) is [(1R,2S)-2-aminocyclohexyl] ethyl carbonate.
What is the SMILES notation for [(1R,2S)-2-aminocyclohexyl] ethyl carbonate?
The canonical SMILES for [(1R,2S)-2-aminocyclohexyl] ethyl carbonate is CCOC(=O)O[C@@H]1CCCC[C@@H]1N.
What is the InChIKey of [(1R,2S)-2-aminocyclohexyl] ethyl carbonate?
The InChIKey is ZHNWEXASMHHSRE-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-12-9(11)13-8-6-4-3-5-7(8)10/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(1R,2S)-2-aminocyclohexyl] ethyl carbonate?
[(1R,2S)-2-aminocyclohexyl] ethyl carbonate has a molecular weight of 187.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-aminocyclohexyl] ethyl carbonate is sourced from PubChem (CID 70041811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).