1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one

C13H23NO — CID 116575528

IUPAC1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one
SMILESCNC1(CC(=O)CC2CC2)CCCCC1
InChIInChI=1S/C13H23NO/c1-14-13(7-3-2-4-8-13)10-12(15)9-11-5-6-11/h11,14H,2-10H2,1H3
InChIKeyGUDVGINDWYNWOU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.67
Rot. Bonds5

About 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one

1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one (PubChem CID 116575528) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one
PubChem CID116575528
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one
SMILESCNC1(CC(=O)CC2CC2)CCCCC1
InChIInChI=1S/C13H23NO/c1-14-13(7-3-2-4-8-13)10-12(15)9-11-5-6-11/h11,14H,2-10H2,1H3
InChIKeyGUDVGINDWYNWOU-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575370
4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one
CID 116575501
1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine
CID 65241485
2-[1-[2-[1-(methylamino)cyclohexyl]acetyl]piperidin-4-yl]acetamide
CID 65241922
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575344
4-ethyl-1-[1-(methylamino)cyclohexyl]hexan-2-one
CID 116575482
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575442
N-[(3-hydroxycyclopentyl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106133987
1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
CID 116578936
cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240602
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one (CID 116575528) is 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one is CNC1(CC(=O)CC2CC2)CCCCC1.
What is the InChIKey of 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one?
The InChIKey is GUDVGINDWYNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-13(7-3-2-4-8-13)10-12(15)9-11-5-6-11/h11,14H,2-10H2,1H3.
What are the key properties of 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one?
1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one is sourced from PubChem (CID 116575528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).