2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide

C17H33N3O — CID 62122902

IUPAC2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
SMILESCC1CCCN(CCCCC(C)(NC2CC2)C(N)=O)C1C
InChIInChI=1S/C17H33N3O/c1-13-7-6-12-20(14(13)2)11-5-4-10-17(3,16(18)21)19-15-8-9-15/h13-15,19H,4-12H2,1-3H3,(H2,18,21)
InChIKeyYQPQKZUISWFRJO-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.27
Rot. Bonds8

About 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide

2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide (PubChem CID 62122902) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
PubChem CID62122902
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
SMILESCC1CCCN(CCCCC(C)(NC2CC2)C(N)=O)C1C
InChIInChI=1S/C17H33N3O/c1-13-7-6-12-20(14(13)2)11-5-4-10-17(3,16(18)21)19-15-8-9-15/h13-15,19H,4-12H2,1-3H3,(H2,18,21)
InChIKeyYQPQKZUISWFRJO-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
CID 55040284
2-amino-5-(2,3-dimethylpiperidin-1-yl)-2-methylpentanoic acid
CID 55040235
methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 62123088
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
CID 63634892
2-(cyclopropylamino)-2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanamide
CID 63210861
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
CID 106666776
2-(cyclopropylamino)-5-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165814
2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 62330730

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide?
The IUPAC name of 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide (CID 62122902) is 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide.
What is the SMILES notation for 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide?
The canonical SMILES for 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide is CC1CCCN(CCCCC(C)(NC2CC2)C(N)=O)C1C.
What is the InChIKey of 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide?
The InChIKey is YQPQKZUISWFRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13-7-6-12-20(14(13)2)11-5-4-10-17(3,16(18)21)19-15-8-9-15/h13-15,19H,4-12H2,1-3H3,(H2,18,21).
What are the key properties of 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide?
2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide has a molecular weight of 295.47 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide is sourced from PubChem (CID 62122902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).