2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone

C14H27N3O — CID 63174996

IUPAC2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)CC2CCCCC2N)C1
InChIInChI=1S/C14H27N3O/c1-16(2)12-7-8-17(10-12)14(18)9-11-5-3-4-6-13(11)15/h11-13H,3-10,15H2,1-2H3
InChIKeyMOKPZKRMJYONOG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

About 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone

2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 63174996) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
PubChem CID63174996
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)CC2CCCCC2N)C1
InChIInChI=1S/C14H27N3O/c1-16(2)12-7-8-17(10-12)14(18)9-11-5-3-4-6-13(11)15/h11-13H,3-10,15H2,1-2H3
InChIKeyMOKPZKRMJYONOG-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 62782730
2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 62778099
2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63611894
2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782399
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-aminocyclohexyl)ethanone
CID 79937510
2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62994159
3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 80701437
2-(2-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781478
2-(2-aminocyclohexyl)-N-cyclopentyl-N-methylacetamide
CID 62782509

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone (CID 63174996) is 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone is CN(C)C1CCN(C(=O)CC2CCCCC2N)C1.
What is the InChIKey of 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is MOKPZKRMJYONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16(2)12-7-8-17(10-12)14(18)9-11-5-3-4-6-13(11)15/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 63174996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).