(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide

C15H32N4O — CID 104903261

IUPAC(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C15H32N4O/c1-12(2)10-13(16)14(20)17-11-15(3,4)19-8-6-18(5)7-9-19/h12-13H,6-11,16H2,1-5H3,(H,17,20)/t13-/m1/s1
InChIKeyGYQDURONRCJIHG-CYBMUJFWSA-N
MW284.45 g/mol
LogP0.50
Rot. Bonds6

About (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide

(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide (PubChem CID 104903261) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
PubChem CID104903261
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C15H32N4O/c1-12(2)10-13(16)14(20)17-11-15(3,4)19-8-6-18(5)7-9-19/h12-13H,6-11,16H2,1-5H3,(H,17,20)/t13-/m1/s1
InChIKeyGYQDURONRCJIHG-CYBMUJFWSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
CID 61274483
(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide
CID 119839592
(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 119902872
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157
5-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 82012149
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
CID 61248281

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide (CID 104903261) is (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide is CC(C)C[C@@H](N)C(=O)NCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide?
The InChIKey is GYQDURONRCJIHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H32N4O/c1-12(2)10-13(16)14(20)17-11-15(3,4)19-8-6-18(5)7-9-19/h12-13H,6-11,16H2,1-5H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide?
(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide has a molecular weight of 284.45 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide is sourced from PubChem (CID 104903261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).