tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate

C18H34N2O2 — CID 103965667

IUPACtert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
SMILESCC1(C)CC(NC2CN(C(=O)OC(C)(C)C)C2)CC(C)(C)C1
InChIInChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20-10-14(11-20)19-13-8-17(4,5)12-18(6,7)9-13/h13-14,19H,8-12H2,1-7H3
InChIKeyOGDNSUPLUWNPBJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.80
Rot. Bonds2

About tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate (PubChem CID 103965667) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
PubChem CID103965667
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
SMILESCC1(C)CC(NC2CN(C(=O)OC(C)(C)C)C2)CC(C)(C)C1
InChIInChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20-10-14(11-20)19-13-8-17(4,5)12-18(6,7)9-13/h13-14,19H,8-12H2,1-7H3
InChIKeyOGDNSUPLUWNPBJ-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
CID 67289806
tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453
tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate
CID 102672477
tert-butyl 7-fluoro-9-hydroxy-7-methyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 115050803
tert-butyl 3-[(1,1-dioxothian-3-yl)amino]azetidine-1-carboxylate
CID 63924279
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
CID 162451549
tert-butyl 5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 90224767

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate (CID 103965667) is tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate is CC1(C)CC(NC2CN(C(=O)OC(C)(C)C)C2)CC(C)(C)C1.
What is the InChIKey of tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate?
The InChIKey is OGDNSUPLUWNPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20-10-14(11-20)19-13-8-17(4,5)12-18(6,7)9-13/h13-14,19H,8-12H2,1-7H3.
What are the key properties of tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 103965667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).