N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine

C15H22N2O — CID 79042063

IUPACN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H22N2O/c1-10-12(7-4-8-16-10)17-13-11-6-5-9-18-14(11)15(13,2)3/h4,7-8,11,13-14,17H,5-6,9H2,1-3H3
InChIKeyKVNGRGPDYKATFF-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.01
Rot. Bonds2

About N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine (PubChem CID 79042063) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine
PubChem CID79042063
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H22N2O/c1-10-12(7-4-8-16-10)17-13-11-6-5-9-18-14(11)15(13,2)3/h4,7-8,11,13-14,17H,5-6,9H2,1-3H3
InChIKeyKVNGRGPDYKATFF-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine?
The IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine (CID 79042063) is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine is Cc1ncccc1NC1C2CCCOC2C1(C)C.
What is the InChIKey of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine?
The InChIKey is KVNGRGPDYKATFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-12(7-4-8-16-10)17-13-11-6-5-9-18-14(11)15(13,2)3/h4,7-8,11,13-14,17H,5-6,9H2,1-3H3.
What are the key properties of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine?
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine has a molecular weight of 246.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79042063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).