N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C16H26N2O — CID 104926902

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCc1cnc(CNC2CC3CCC2(C)C3(C)C)o1
InChIInChI=1S/C16H26N2O/c1-5-12-9-18-14(19-12)10-17-13-8-11-6-7-16(13,4)15(11,2)3/h9,11,13,17H,5-8,10H2,1-4H3
InChIKeyQBRGGAPMSRJHOY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 104926902) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID104926902
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCc1cnc(CNC2CC3CCC2(C)C3(C)C)o1
InChIInChI=1S/C16H26N2O/c1-5-12-9-18-14(19-12)10-17-13-8-11-6-7-16(13,4)15(11,2)3/h9,11,13,17H,5-8,10H2,1-4H3
InChIKeyQBRGGAPMSRJHOY-UHFFFAOYSA-N
XLogP3.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55221859
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104878460
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 46831020
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 43223186
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
CID 118989555
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 104926931
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 106369246

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 104926902) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CCc1cnc(CNC2CC3CCC2(C)C3(C)C)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is QBRGGAPMSRJHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-12-9-18-14(19-12)10-17-13-8-11-6-7-16(13,4)15(11,2)3/h9,11,13,17H,5-8,10H2,1-4H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 104926902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).