tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C18H32N2O2 — CID 107238693

IUPACtert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2C(C1)C2NCCC1CCCCC1
InChIInChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-11-14-15(12-20)16(14)19-10-9-13-7-5-4-6-8-13/h13-16,19H,4-12H2,1-3H3
InChIKeyDXVMWUGPPOLBJB-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 107238693) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID107238693
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nametert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2C(C1)C2NCCC1CCCCC1
InChIInChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-11-14-15(12-20)16(14)19-10-9-13-7-5-4-6-8-13/h13-16,19H,4-12H2,1-3H3
InChIKeyDXVMWUGPPOLBJB-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (1R,5S)-6-amino-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 28820283
Tert-butyl 4-amino-1-azaspiro(5.5)undecane-1-carboxylate
CID 16228713
Tert-butyl 2-(piperidin-3-yl)pyrrolidine-1-carboxylate
CID 16228807
1,1-Dimethylethyl 2-(4-piperidinyl)-1-pyrrolidinecarboxylate
CID 16228838
1-Pyrrolidinecarboxylic acid, 2-(4-piperidinyl)-, 1,1-dimethylethyl ester, (2S)-
CID 28818856
tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 59444330
Tert-butyl 3-[(piperidin-4-yl)methyl]pyrrolidine-1-carboxylate
CID 82667323
rac-tert-butyl (1R,5S,6R)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 97136028
Tert-butyl 4-(pyrrolidin-2-yl)piperidine-1-carboxylate
CID 71695541
Tert-butyl 3-(pyrrolidin-2-yl)piperidine-1-carboxylate
CID 82380942
Tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567
Tert-butyl 3-amino-2-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 115043875

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 107238693) is tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1CC2C(C1)C2NCCC1CCCCC1.
What is the InChIKey of tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is DXVMWUGPPOLBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-18(2,3)22-17(21)20-11-14-15(12-20)16(14)19-10-9-13-7-5-4-6-8-13/h13-16,19H,4-12H2,1-3H3.
What are the key properties of tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 308.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 107238693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).