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

C12H21N3O — CID 76798293

IUPAC1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine
SMILESCc1nc(CC2CCC(C)(N)C2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-8-14-10(15-16-8)7-9-5-6-12(4,13)11(9,2)3/h9H,5-7,13H2,1-4H3
InChIKeyGQJQOJGHHYYQOY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds2

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

1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 76798293) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID76798293
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine
SMILESCc1nc(CC2CCC(C)(N)C2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-8-14-10(15-16-8)7-9-5-6-12(4,13)11(9,2)3/h9H,5-7,13H2,1-4H3
InChIKeyGQJQOJGHHYYQOY-UHFFFAOYSA-N
XLogP2.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 43559605
tert-Butyl (1S,3S)-1,2,2-trimethyl-3-((5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)methyl)cyclopentylcarbamate
CID 57518676
(1S,3S)-1,2,2-trimethyl-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentan-1-amine;hydrochloride
CID 57518678
(1S,3S)-1,2,2-trimethyl-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentan-1-amine
CID 57518679
3-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 58477011
[(1S,3S)-1,2,2-trimethyl-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopentyl]carbamic acid
CID 67441472
5-(trifluoromethyl)-3-[[(1S,3R)-2,2,3-trimethylcyclopentyl]methyl]-1,2,4-oxadiazole
CID 130315397
2,2-Dimethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 79862920
2-Ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 113483638
2,4,4-Trimethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 113861754
tert-butyl N-[(1R,3S)-1,2,2-trimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamate
CID 57518670
tert-butyl N-[(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]carbamate
CID 57518675

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine (CID 76798293) is 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine is Cc1nc(CC2CCC(C)(N)C2(C)C)no1.
What is the InChIKey of 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is GQJQOJGHHYYQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-14-10(15-16-8)7-9-5-6-12(4,13)11(9,2)3/h9H,5-7,13H2,1-4H3.
What are the key properties of 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine?
1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 76798293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).