(1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine

C12H21N3O — CID 99833236

IUPAC(1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCc1nc(CN[C@H]2CCCC2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-4-11-14-10(15-16-11)8-13-9-6-5-7-12(9,2)3/h9,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyNRZPHFNOKDAFII-VIFPVBQESA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds4

About (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine

(1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 99833236) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID99833236
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCc1nc(CN[C@H]2CCCC2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-4-11-14-10(15-16-11)8-13-9-6-5-7-12(9,2)3/h9,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyNRZPHFNOKDAFII-VIFPVBQESA-N
XLogP2.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 99833236) is (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine is CCc1nc(CN[C@H]2CCCC2(C)C)no1.
What is the InChIKey of (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is NRZPHFNOKDAFII-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11-14-10(15-16-11)8-13-9-6-5-7-12(9,2)3/h9,13H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
(1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 99833236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).