3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine

C11H19N3O — CID 80705304

IUPAC3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1noc(CNC2CCC(C)(C)C2)n1
InChIInChI=1S/C11H19N3O/c1-8-13-10(15-14-8)7-12-9-4-5-11(2,3)6-9/h9,12H,4-7H2,1-3H3
InChIKeyKFDKBQSXYDXFAL-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.05
Rot. Bonds3

About 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine

3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 80705304) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID80705304
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1noc(CNC2CCC(C)(C)C2)n1
InChIInChI=1S/C11H19N3O/c1-8-13-10(15-14-8)7-12-9-4-5-11(2,3)6-9/h9,12H,4-7H2,1-3H3
InChIKeyKFDKBQSXYDXFAL-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
CID 106414159
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
CID 61014333
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244542
2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 61015493
4,4-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-naphthalen-1-amine
CID 61015244
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine
CID 126857808
N-(3,3-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659849
5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole
CID 127801903
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine (CID 80705304) is 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine is Cc1noc(CNC2CCC(C)(C)C2)n1.
What is the InChIKey of 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is KFDKBQSXYDXFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-13-10(15-14-8)7-12-9-4-5-11(2,3)6-9/h9,12H,4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine?
3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 80705304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).