tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate

C11H20N2O2 — CID 118130143

IUPACtert-butyl N-[(1S)-2-iminocyclohexyl]carbamate
SMILES[H]/N=C1\CCCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h9,12H,4-7H2,1-3H3,(H,13,14)/b12-8+/t9-/m0/s1
InChIKeyOVLHTAAFKCMVSY-KWINOFQJSA-N
MW212.29 g/mol
LogP2.47
Rot. Bonds1

About tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate

tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate (PubChem CID 118130143) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-iminocyclohexyl]carbamate
PubChem CID118130143
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-[(1S)-2-iminocyclohexyl]carbamate
SMILES[H]/N=C1\CCCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h9,12H,4-7H2,1-3H3,(H,13,14)/b12-8+/t9-/m0/s1
InChIKeyOVLHTAAFKCMVSY-KWINOFQJSA-N
XLogP2.47
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
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tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
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tert-butyl N-[(3S)-1-(cyclopropanecarbonyl)-2-oxoazepan-3-yl]carbamate
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tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
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tert-butyl N-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)carbamate
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tert-butyl N-[(3S)-1-(cyclohexanecarbonyl)-2-oxoazepan-3-yl]carbamate
CID 90883687
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
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tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
methyl (2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexylidene]amino]pentanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate (CID 118130143) is tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate is [H]/N=C1\CCCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate?
The InChIKey is OVLHTAAFKCMVSY-KWINOFQJSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h9,12H,4-7H2,1-3H3,(H,13,14)/b12-8+/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate?
tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate is sourced from PubChem (CID 118130143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).