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

C13H26N2O — CID 139315589

IUPAC3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine
SMILESCC(C)NC1CCC2C1OCN2C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(2)14-10-6-7-11-12(10)16-8-15(11)13(3,4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyKCMFKCBDMBLSSG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.97
Rot. Bonds2

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

3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine (PubChem CID 139315589) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine.

Molecular Properties

Compound Name3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine
PubChem CID139315589
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine
SMILESCC(C)NC1CCC2C1OCN2C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(2)14-10-6-7-11-12(10)16-8-15(11)13(3,4)5/h9-12,14H,6-8H2,1-5H3
InChIKeyKCMFKCBDMBLSSG-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine?
The IUPAC name of 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine (CID 139315589) is 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine.
What is the SMILES notation for 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine?
The canonical SMILES for 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine is CC(C)NC1CCC2C1OCN2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine?
The InChIKey is KCMFKCBDMBLSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)14-10-6-7-11-12(10)16-8-15(11)13(3,4)5/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine?
3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine has a molecular weight of 226.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-propan-2-yl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-6-amine is sourced from PubChem (CID 139315589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).