3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide

C12H26N4O — CID 106344756

IUPAC3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
SMILESCC(C)C(NCCN1CCN(C)CC1)C(N)=O
InChIInChI=1S/C12H26N4O/c1-10(2)11(12(13)17)14-4-5-16-8-6-15(3)7-9-16/h10-11,14H,4-9H2,1-3H3,(H2,13,17)
InChIKeyGXAHLFCZANNRBH-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.67
Rot. Bonds6

About 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide

3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide (PubChem CID 106344756) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
PubChem CID106344756
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
SMILESCC(C)C(NCCN1CCN(C)CC1)C(N)=O
InChIInChI=1S/C12H26N4O/c1-10(2)11(12(13)17)14-4-5-16-8-6-15(3)7-9-16/h10-11,14H,4-9H2,1-3H3,(H2,13,17)
InChIKeyGXAHLFCZANNRBH-UHFFFAOYSA-N
XLogP-0.67
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
(2S)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butan-1-ol
CID 82889379
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
CID 103914140
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
CID 103914269
2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol
CID 65338096
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylbutanamide
CID 119901800
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 60923926
(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
CID 171647987
3-methyl-2-(pentylamino)butanamide
CID 103914102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide?
The IUPAC name of 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide (CID 106344756) is 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide?
The canonical SMILES for 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide is CC(C)C(NCCN1CCN(C)CC1)C(N)=O.
What is the InChIKey of 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide?
The InChIKey is GXAHLFCZANNRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(2)11(12(13)17)14-4-5-16-8-6-15(3)7-9-16/h10-11,14H,4-9H2,1-3H3,(H2,13,17).
What are the key properties of 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide?
3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide has a molecular weight of 242.37 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide is sourced from PubChem (CID 106344756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).