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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Related Compounds

6-(Oxan-4-yl)pyridin-3-amine
CID 86692451
5-[1-(Oxan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 86785465
3-[(3-Methoxy-2,2-dimethylcyclobutyl)amino]pyridine-2-carbonitrile
CID 114119321
5-[(2-Propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile
CID 136513353
(2R)-2-[(3-fluorocyclobutyl)methyl]-4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 168106208
N-(2,5-difluorophenyl)-2-(oxan-4-yl)pyridin-3-amine
CID 172214550
N-methyl-1-(3-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093466
3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine
CID 75449626
N-[(3-fluoro-2-pyridinyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 75516219
N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine
CID 79712510
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79712531
N-[(5-fluoro-2-pyridinyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 79712706

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).