N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine

C14H28N2O — CID 139315651

IUPACN,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine
SMILESCC(C)(C)NC1CCC2C1OCN2C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-13(2,3)15-10-7-8-11-12(10)17-9-16(11)14(4,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyFEBDAMKCVJMYEX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.36
Rot. Bonds1

About N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine

N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine (PubChem CID 139315651) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine.

Molecular Properties

Compound NameN,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine
PubChem CID139315651
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine
SMILESCC(C)(C)NC1CCC2C1OCN2C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-13(2,3)15-10-7-8-11-12(10)17-9-16(11)14(4,5)6/h10-12,15H,7-9H2,1-6H3
InChIKeyFEBDAMKCVJMYEX-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine?
The IUPAC name of N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine (CID 139315651) is N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine.
What is the SMILES notation for N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine?
The canonical SMILES for N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine is CC(C)(C)NC1CCC2C1OCN2C(C)(C)C.
What is the InChIKey of N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine?
The InChIKey is FEBDAMKCVJMYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2,3)15-10-7-8-11-12(10)17-9-16(11)14(4,5)6/h10-12,15H,7-9H2,1-6H3.
What are the key properties of N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine?
N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine has a molecular weight of 240.39 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-ditert-butyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine is sourced from PubChem (CID 139315651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).