5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide

C15H33N5O — CID 62890058

IUPAC5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCN1CCN(CCN(C)C)CC1)C(N)=O
InChIInChI=1S/C15H33N5O/c1-15(17-2,14(16)21)6-5-7-19-10-12-20(13-11-19)9-8-18(3)4/h17H,5-13H2,1-4H3,(H2,16,21)
InChIKeyXQIBWPOKRMROOP-UHFFFAOYSA-N
MW299.46 g/mol
LogP-0.59
Rot. Bonds9

About 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide

5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide (PubChem CID 62890058) has the molecular formula C15H33N5O and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide
PubChem CID62890058
Molecular FormulaC15H33N5O
Molecular Weight299.46 g/mol
Exact Mass299.27
IUPAC Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CCCN1CCN(CCN(C)C)CC1)C(N)=O
InChIInChI=1S/C15H33N5O/c1-15(17-2,14(16)21)6-5-7-19-10-12-20(13-11-19)9-8-18(3)4/h17H,5-13H2,1-4H3,(H2,16,21)
InChIKeyXQIBWPOKRMROOP-UHFFFAOYSA-N
XLogP-0.59
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine
CID 65296194
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 63698755
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanamide
CID 79175376
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one
CID 55128614
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(methylamino)hexanamide
CID 81474697
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 55155364
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide
CID 63210817
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanamide
CID 79163911
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245
2-(cyclopropylamino)-2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanamide
CID 63210861
2-methyl-2-(methylamino)heptanamide
CID 80557436

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide (CID 62890058) is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide is CNC(C)(CCCN1CCN(CCN(C)C)CC1)C(N)=O.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide?
The InChIKey is XQIBWPOKRMROOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O/c1-15(17-2,14(16)21)6-5-7-19-10-12-20(13-11-19)9-8-18(3)4/h17H,5-13H2,1-4H3,(H2,16,21).
What are the key properties of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide?
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide has a molecular weight of 299.46 g/mol, XLogP of -0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 62890058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).