1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C14H23N3O — CID 114183303

IUPAC1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NCCc1ncno1
InChIInChI=1S/C14H23N3O/c1-13(2)10-4-6-14(3,8-10)12(13)15-7-5-11-16-9-17-18-11/h9-10,12,15H,4-8H2,1-3H3
InChIKeyKZAHDZDUCQVJHY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.42
Rot. Bonds4

About 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 114183303) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID114183303
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NCCc1ncno1
InChIInChI=1S/C14H23N3O/c1-13(2)10-4-6-14(3,8-10)12(13)15-7-5-11-16-9-17-18-11/h9-10,12,15H,4-8H2,1-3H3
InChIKeyKZAHDZDUCQVJHY-UHFFFAOYSA-N
XLogP2.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,3-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 64548695
(1R,4S)-1,3,3-trimethyl-N-(2-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400223
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103005369
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115400894
(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115400183
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine
CID 106394778
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine
CID 106394531
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247
(1R,4S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 106370684
trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106399719
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclohexan-1-ol
CID 106400144

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 114183303) is 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is CC12CCC(C1)C(C)(C)C2NCCc1ncno1.
What is the InChIKey of 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KZAHDZDUCQVJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13(2)10-4-6-14(3,8-10)12(13)15-7-5-11-16-9-17-18-11/h9-10,12,15H,4-8H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114183303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).