N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C17H28N2O — CID 79236127

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCc1noc(C)c1C(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H28N2O/c1-10(15-11(2)19-20-12(15)3)18-14-9-13-7-8-17(14,6)16(13,4)5/h10,13-14,18H,7-9H2,1-6H3
InChIKeySWSCWAJOPIIWFE-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.16
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 79236127) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID79236127
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCc1noc(C)c1C(C)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H28N2O/c1-10(15-11(2)19-20-12(15)3)18-14-9-13-7-8-17(14,6)16(13,4)5/h10,13-14,18H,7-9H2,1-6H3
InChIKeySWSCWAJOPIIWFE-UHFFFAOYSA-N
XLogP4.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 79236127) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is Cc1noc(C)c1C(C)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is SWSCWAJOPIIWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-10(15-11(2)19-20-12(15)3)18-14-9-13-7-8-17(14,6)16(13,4)5/h10,13-14,18H,7-9H2,1-6H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 79236127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).