[(1S,2S)-2-aminocyclohexyl] formate

C7H13NO2 — CID 87077504

IUPAC[(1S,2S)-2-aminocyclohexyl] formate
SMILESN[C@H]1CCCC[C@@H]1OC=O
InChIInChI=1S/C7H13NO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4,8H2/t6-,7-/m0/s1
InChIKeyLZUAXBIQBOHKMA-BQBZGAKWSA-N
MW143.19 g/mol
LogP0.43
Rot. Bonds2

About [(1S,2S)-2-aminocyclohexyl] formate

[(1S,2S)-2-aminocyclohexyl] formate (PubChem CID 87077504) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is [(1S,2S)-2-aminocyclohexyl] formate.

Molecular Properties

Compound Name[(1S,2S)-2-aminocyclohexyl] formate
PubChem CID87077504
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name[(1S,2S)-2-aminocyclohexyl] formate
SMILESN[C@H]1CCCC[C@@H]1OC=O
InChIInChI=1S/C7H13NO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4,8H2/t6-,7-/m0/s1
InChIKeyLZUAXBIQBOHKMA-BQBZGAKWSA-N
XLogP0.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxycycloheptyl) formate
CID 130142340
[(1R,2S)-2-methylcyclohexyl] formate
CID 18611348
[(1R,2R)-2-prop-2-enylcyclohexyl] formate
CID 162455563
2-(difluoromethoxy)cyclohexan-1-amine
CID 84717033
[(1R,2R)-2-aminocyclohexyl] carbamate
CID 145235379
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
CID 67541561
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
(2-acetylsulfanylcyclohexyl) formate
CID 57026071
(2-aminocyclohexyl) hydrogen carbonate;hydrochloride
CID 171616826
cyclononyl formate
CID 87065625
(2-phenylcyclohexyl) formate
CID 87286934
cis-(1S,2S)-2-aminocyclohexane-1-carbaldehyde
CID 102087752

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-aminocyclohexyl] formate?
The IUPAC name of [(1S,2S)-2-aminocyclohexyl] formate (CID 87077504) is [(1S,2S)-2-aminocyclohexyl] formate.
What is the SMILES notation for [(1S,2S)-2-aminocyclohexyl] formate?
The canonical SMILES for [(1S,2S)-2-aminocyclohexyl] formate is N[C@H]1CCCC[C@@H]1OC=O.
What is the InChIKey of [(1S,2S)-2-aminocyclohexyl] formate?
The InChIKey is LZUAXBIQBOHKMA-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6-3-1-2-4-7(6)10-5-9/h5-7H,1-4,8H2/t6-,7-/m0/s1.
What are the key properties of [(1S,2S)-2-aminocyclohexyl] formate?
[(1S,2S)-2-aminocyclohexyl] formate has a molecular weight of 143.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-aminocyclohexyl] formate is sourced from PubChem (CID 87077504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).