tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate

C14H26N2O2 — CID 82380938

IUPACtert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)C1C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-11(15)12(16)10-7-5-4-6-8-10/h10-12H,4-9,15H2,1-3H3
InChIKeyRJASWCDHCSBUPA-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.51
Rot. Bonds1

About tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate

tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate (PubChem CID 82380938) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate
PubChem CID82380938
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)C1C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-11(15)12(16)10-7-5-4-6-8-10/h10-12H,4-9,15H2,1-3H3
InChIKeyRJASWCDHCSBUPA-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84800571
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CID 135397248
tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate
CID 84804762
tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate
CID 84812486
tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate
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tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
ditert-butyl 7,9-diazabicyclo[4.2.2]decane-7,9-dicarboxylate
CID 69231191
tert-butyl (2R,3S)-2-cyclohexyl-3-(hydroxymethyl)aziridine-1-carboxylate
CID 23660883
(2S,4S)-4-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 2756008
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (1S,4S,6S)-6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 124566027

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate (CID 82380938) is tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N)C1C1CCCCC1.
What is the InChIKey of tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate?
The InChIKey is RJASWCDHCSBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-11(15)12(16)10-7-5-4-6-8-10/h10-12H,4-9,15H2,1-3H3.
What are the key properties of tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate?
tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate is sourced from PubChem (CID 82380938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).