1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine

C16H27N3O — CID 75414550

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(C)c1noc(C(C)NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C16H27N3O/c1-9(2)15-18-16(20-19-15)11(4)17-10(3)14-8-12-5-6-13(14)7-12/h9-14,17H,5-8H2,1-4H3
InChIKeyRJVVOULPYYRBQU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.67
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 75414550) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID75414550
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(C)c1noc(C(C)NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C16H27N3O/c1-9(2)15-18-16(20-19-15)11(4)17-10(3)14-8-12-5-6-13(14)7-12/h9-14,17H,5-8H2,1-4H3
InChIKeyRJVVOULPYYRBQU-UHFFFAOYSA-N
XLogP3.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 90326100
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 63422667
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 43099010
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956121
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982157
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 43111844
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106959062
4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
CID 86922813
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43104674
4-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]benzene-1,3-diol
CID 43193368
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 75414550) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is CC(C)c1noc(C(C)NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is RJVVOULPYYRBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-9(2)15-18-16(20-19-15)11(4)17-10(3)14-8-12-5-6-13(14)7-12/h9-14,17H,5-8H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 75414550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).