2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine

C13H21NO — CID 126645183

IUPAC2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine
SMILESCC(C)C1=CCNC2=C1OC(C)(C)CC2
InChIInChI=1S/C13H21NO/c1-9(2)10-6-8-14-11-5-7-13(3,4)15-12(10)11/h6,9,14H,5,7-8H2,1-4H3
InChIKeyJCIRPTMQIDOSFZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds1

About 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine

2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine (PubChem CID 126645183) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine.

Molecular Properties

Compound Name2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine
PubChem CID126645183
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine
SMILESCC(C)C1=CCNC2=C1OC(C)(C)CC2
InChIInChI=1S/C13H21NO/c1-9(2)10-6-8-14-11-5-7-13(3,4)15-12(10)11/h6,9,14H,5,7-8H2,1-4H3
InChIKeyJCIRPTMQIDOSFZ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 135219146
7-Methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine
CID 144980700
N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine
CID 167259867

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine?
The IUPAC name of 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine (CID 126645183) is 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine.
What is the SMILES notation for 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine?
The canonical SMILES for 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine is CC(C)C1=CCNC2=C1OC(C)(C)CC2.
What is the InChIKey of 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine?
The InChIKey is JCIRPTMQIDOSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)10-6-8-14-11-5-7-13(3,4)15-12(10)11/h6,9,14H,5,7-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine?
2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine is sourced from PubChem (CID 126645183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).