(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone

C9H16N2O — CID 130683901

IUPAC(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone
SMILESCC1(C)CCN1C(=O)C1(N)CC1
InChIInChI=1S/C9H16N2O/c1-8(2)5-6-11(8)7(12)9(10)3-4-9/h3-6,10H2,1-2H3
InChIKeyKHJUTUGNZUNYBQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.49
Rot. Bonds1

About (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone

(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone (PubChem CID 130683901) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone
PubChem CID130683901
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone
SMILESCC1(C)CCN1C(=O)C1(N)CC1
InChIInChI=1S/C9H16N2O/c1-8(2)5-6-11(8)7(12)9(10)3-4-9/h3-6,10H2,1-2H3
InChIKeyKHJUTUGNZUNYBQ-UHFFFAOYSA-N
XLogP0.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 130734788
methyl 2,2-dimethylazetidine-1-carboxylate
CID 126990009
1-(2,2-dimethylazetidin-1-yl)but-2-yn-1-one
CID 126988479
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
1-[4-(1-aminocyclopropanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 65465983
(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
CID 131154451
(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130703615
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
1-(2,2-dimethylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80591939
(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115734565
(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119335089
(1-aminocyclopropyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 65464508

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone (CID 130683901) is (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone is CC1(C)CCN1C(=O)C1(N)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone?
The InChIKey is KHJUTUGNZUNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)5-6-11(8)7(12)9(10)3-4-9/h3-6,10H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone?
(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone has a molecular weight of 168.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone is sourced from PubChem (CID 130683901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).