(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide

C16H34N4O — CID 103950354

IUPAC(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-5-6-7-14(17)16(21)18-12-15(13(2)3)20-10-8-19(4)9-11-20/h13-15H,5-12,17H2,1-4H3,(H,18,21)/t14-,15?/m0/s1
InChIKeyXIPQBHVXFGCGIJ-MLCCFXAWSA-N
MW298.48 g/mol
LogP0.89
Rot. Bonds8

About (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide

(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide (PubChem CID 103950354) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide
PubChem CID103950354
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-5-6-7-14(17)16(21)18-12-15(13(2)3)20-10-8-19(4)9-11-20/h13-15H,5-12,17H2,1-4H3,(H,18,21)/t14-,15?/m0/s1
InChIKeyXIPQBHVXFGCGIJ-MLCCFXAWSA-N
XLogP0.89
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791
(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
CID 103950758
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 79815067
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
CID 113304830
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide (CID 103950354) is (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide is CCCC[C@H](N)C(=O)NCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide?
The InChIKey is XIPQBHVXFGCGIJ-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-6-7-14(17)16(21)18-12-15(13(2)3)20-10-8-19(4)9-11-20/h13-15H,5-12,17H2,1-4H3,(H,18,21)/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide?
(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide has a molecular weight of 298.48 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide is sourced from PubChem (CID 103950354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).