1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one

C12H23NO — CID 164822537

IUPAC1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one
SMILESCNC(C)C1(C(C)C)CC1CC(C)=O
InChIInChI=1S/C12H23NO/c1-8(2)12(10(4)13-5)7-11(12)6-9(3)14/h8,10-11,13H,6-7H2,1-5H3
InChIKeyPLDYHEUASCMVOU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one

1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one (PubChem CID 164822537) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one.

Molecular Properties

Compound Name1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one
PubChem CID164822537
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one
SMILESCNC(C)C1(C(C)C)CC1CC(C)=O
InChIInChI=1S/C12H23NO/c1-8(2)12(10(4)13-5)7-11(12)6-9(3)14/h8,10-11,13H,6-7H2,1-5H3
InChIKeyPLDYHEUASCMVOU-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one
CID 165006917
1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one
CID 84648509
(2S)-N-methyl-1-[(2S)-2-methyl-2-propan-2-ylcyclopropyl]propan-2-amine
CID 139542549
Lithium pentane-2,4-dione
CID 86735745
bis(pentane-2,4-dione);propan-2-ol;titanium
CID 175367620
bis(pentane-2,4-dione);bis(propan-2-ol);zirconium
CID 157051776
cyclopropene;pentane-2,4-dione
CID 19973815
pentane-2,4-dione;tris(propan-2-ol);titanium
CID 88807291
1-(1,2-dimethylcyclopropyl)-N-methylethanamine
CID 123951513
1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one
CID 158129773
CID 174431811
CID 174431811
1-(2,2-dimethyloxan-3-yl)propan-2-one
CID 14027507

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one?
The IUPAC name of 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one (CID 164822537) is 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one.
What is the SMILES notation for 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one?
The canonical SMILES for 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one is CNC(C)C1(C(C)C)CC1CC(C)=O.
What is the InChIKey of 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one?
The InChIKey is PLDYHEUASCMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)12(10(4)13-5)7-11(12)6-9(3)14/h8,10-11,13H,6-7H2,1-5H3.
What are the key properties of 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one?
1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one is sourced from PubChem (CID 164822537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).