cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate

C11H22N2O2 — CID 151224928

IUPACcis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1NN
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-6-4-5-7-9(8)13-12/h8-9,13H,4-7,12H2,1-3H3/t8-,9+/m1/s1
InChIKeyNNBLAXNASPNBCZ-BDAKNGLRSA-N
MW214.31 g/mol
LogP1.35
Rot. Bonds2

About cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate

cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate (PubChem CID 151224928) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
PubChem CID151224928
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namecis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1NN
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-6-4-5-7-9(8)13-12/h8-9,13H,4-7,12H2,1-3H3/t8-,9+/m1/s1
InChIKeyNNBLAXNASPNBCZ-BDAKNGLRSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
CID 70286212
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
tert-butyl 2-sulfanylcyclohexane-1-carboxylate
CID 138571057
cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
CID 11682154
2-O-tert-butyl 1-O-(2-hydroxyethyl) cyclohexane-1,2-dicarboxylate
CID 66983618
2-O-tert-butyl 1-O-cyclohexyl cyclohexane-1,2-dicarboxylate
CID 54540024
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
2-O-tert-butyl 1-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
CID 66983745
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
trans-tert-butyl (1S,2R)-2-cyanocyclohexane-1-carboxylate
CID 70253101

Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate (CID 151224928) is cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1NN.
What is the InChIKey of cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate?
The InChIKey is NNBLAXNASPNBCZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-6-4-5-7-9(8)13-12/h8-9,13H,4-7,12H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate?
cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate is sourced from PubChem (CID 151224928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).