3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one

C15H29N3O — CID 80701437

IUPAC3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCN(C)C1CCN(C(=O)CCC2CCCC(N)C2)C1
InChIInChI=1S/C15H29N3O/c1-17(2)14-8-9-18(11-14)15(19)7-6-12-4-3-5-13(16)10-12/h12-14H,3-11,16H2,1-2H3
InChIKeyAOSJLWAWWNIROY-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds4

About 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one

3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 80701437) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID80701437
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCN(C)C1CCN(C(=O)CCC2CCCC(N)C2)C1
InChIInChI=1S/C15H29N3O/c1-17(2)14-8-9-18(11-14)15(19)7-6-12-4-3-5-13(16)10-12/h12-14H,3-11,16H2,1-2H3
InChIKeyAOSJLWAWWNIROY-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 63167273
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-aminocyclohexyl)propan-1-one
CID 80694908
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
2-[3-(3-aminocyclohexyl)propanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858605
CID 43586228
CID 43586228
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63174996
1-[3-(dimethylamino)pyrrolidin-1-yl]hex-5-yn-1-one
CID 87057862
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63611894
3-(3-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 80700737

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one (CID 80701437) is 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one is CN(C)C1CCN(C(=O)CCC2CCCC(N)C2)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is AOSJLWAWWNIROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17(2)14-8-9-18(11-14)15(19)7-6-12-4-3-5-13(16)10-12/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 80701437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).