N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine

C10H19NO2 — CID 89020834

IUPACN-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
SMILESCC(C)(C)NC1COC2OCCC12
InChIInChI=1S/C10H19NO2/c1-10(2,3)11-8-6-13-9-7(8)4-5-12-9/h7-9,11H,4-6H2,1-3H3
InChIKeySURNOOLIEYXGSU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds1

About N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine

N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine (PubChem CID 89020834) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
PubChem CID89020834
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
SMILESCC(C)(C)NC1COC2OCCC12
InChIInChI=1S/C10H19NO2/c1-10(2,3)11-8-6-13-9-7(8)4-5-12-9/h7-9,11H,4-6H2,1-3H3
InChIKeySURNOOLIEYXGSU-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine?
The IUPAC name of N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine (CID 89020834) is N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine.
What is the SMILES notation for N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine?
The canonical SMILES for N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine is CC(C)(C)NC1COC2OCCC12.
What is the InChIKey of N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine?
The InChIKey is SURNOOLIEYXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)11-8-6-13-9-7(8)4-5-12-9/h7-9,11H,4-6H2,1-3H3.
What are the key properties of N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine?
N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine has a molecular weight of 185.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine is sourced from PubChem (CID 89020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).