N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane

C12H26N2O2 — CID 143572471

IUPACN,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane
SMILESCC.CNN1COC2(C)CC(C)OC(C)C12
InChIInChI=1S/C10H20N2O2.C2H6/c1-7-5-10(3)9(8(2)14-7)12(11-4)6-13-10;1-2/h7-9,11H,5-6H2,1-4H3;1-2H3
InChIKeyZZHGLPRZXKUPIE-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.76
Rot. Bonds1

About N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane

N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane (PubChem CID 143572471) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane.

Molecular Properties

Compound NameN,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane
PubChem CID143572471
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane
SMILESCC.CNN1COC2(C)CC(C)OC(C)C12
InChIInChI=1S/C10H20N2O2.C2H6/c1-7-5-10(3)9(8(2)14-7)12(11-4)6-13-10;1-2/h7-9,11H,5-6H2,1-4H3;1-2H3
InChIKeyZZHGLPRZXKUPIE-UHFFFAOYSA-N
XLogP1.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane?
The IUPAC name of N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane (CID 143572471) is N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane.
What is the SMILES notation for N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane?
The canonical SMILES for N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane is CC.CNN1COC2(C)CC(C)OC(C)C12.
What is the InChIKey of N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane?
The InChIKey is ZZHGLPRZXKUPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C2H6/c1-7-5-10(3)9(8(2)14-7)12(11-4)6-13-10;1-2/h7-9,11H,5-6H2,1-4H3;1-2H3.
What are the key properties of N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane?
N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane has a molecular weight of 230.35 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6,7a-tetramethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-3-amine;ethane is sourced from PubChem (CID 143572471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).