8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine

C16H24N2O — CID 81406737

IUPAC8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC[C@@H](NC1C2CCCOC2C1(C)C)c1cccnc1
InChIInChI=1S/C16H24N2O/c1-11(12-6-4-8-17-10-12)18-14-13-7-5-9-19-15(13)16(14,2)3/h4,6,8,10-11,13-15,18H,5,7,9H2,1-3H3/t11-,13?,14?,15?/m1/s1
InChIKeyRLTYWAVCIVHTDW-NLBOEYJZSA-N
MW260.38 g/mol
LogP2.94
Rot. Bonds3

About 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 81406737) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID81406737
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC[C@@H](NC1C2CCCOC2C1(C)C)c1cccnc1
InChIInChI=1S/C16H24N2O/c1-11(12-6-4-8-17-10-12)18-14-13-7-5-9-19-15(13)16(14,2)3/h4,6,8,10-11,13-15,18H,5,7,9H2,1-3H3/t11-,13?,14?,15?/m1/s1
InChIKeyRLTYWAVCIVHTDW-NLBOEYJZSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

7,7-dimethyl-N-[(1S)-1-phenylethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 81350612
8,8-dimethyl-N-(1-thiophen-3-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864799
8,8-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 81375692
8,8-dimethyl-N-(2-phenylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863032
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
N-[(1R)-1-pyridin-3-ylethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81407323
N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862875
N-(1-pyridin-3-ylethyl)spiro[4.5]decan-8-amine
CID 114817153
N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865167

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 81406737) is 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine is C[C@@H](NC1C2CCCOC2C1(C)C)c1cccnc1.
What is the InChIKey of 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is RLTYWAVCIVHTDW-NLBOEYJZSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(12-6-4-8-17-10-12)18-14-13-7-5-9-19-15(13)16(14,2)3/h4,6,8,10-11,13-15,18H,5,7,9H2,1-3H3/t11-,13?,14?,15?/m1/s1.
What are the key properties of 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 260.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 81406737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).