4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide

C15H32N4O — CID 66432051

IUPAC4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide
SMILESCN1CCN(C(CN)CC(=O)NC(C)(C)C)CC1(C)C
InChIInChI=1S/C15H32N4O/c1-14(2,3)17-13(20)9-12(10-16)19-8-7-18(6)15(4,5)11-19/h12H,7-11,16H2,1-6H3,(H,17,20)
InChIKeyXDIWHZWIUVESCZ-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.64
Rot. Bonds4

About 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide

4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide (PubChem CID 66432051) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide
PubChem CID66432051
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide
SMILESCN1CCN(C(CN)CC(=O)NC(C)(C)C)CC1(C)C
InChIInChI=1S/C15H32N4O/c1-14(2,3)17-13(20)9-12(10-16)19-8-7-18(6)15(4,5)11-19/h12H,7-11,16H2,1-6H3,(H,17,20)
InChIKeyXDIWHZWIUVESCZ-UHFFFAOYSA-N
XLogP0.64
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-tert-butyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)butanamide
CID 102743220
4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
CID 63609294
4-amino-N-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)butanamide
CID 66431643
4-amino-N-tert-butyl-3-(7,7-dimethyl-1,4-thiazepan-4-yl)butanamide
CID 107454007
4-amino-N-tert-butyl-3-(1,4-thiazepan-4-yl)butanamide
CID 66431637
4-amino-N-tert-butyl-3-[3-(dimethylamino)pyrrolidin-1-yl]butanamide
CID 66431436
4-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-tert-butylbutanamide
CID 66431026
methyl 2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 79414279
ethyl 2-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63610423
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
2-(aminomethyl)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 63609215

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide (CID 66432051) is 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide is CN1CCN(C(CN)CC(=O)NC(C)(C)C)CC1(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide?
The InChIKey is XDIWHZWIUVESCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-14(2,3)17-13(20)9-12(10-16)19-8-7-18(6)15(4,5)11-19/h12H,7-11,16H2,1-6H3,(H,17,20).
What are the key properties of 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide?
4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide has a molecular weight of 284.45 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-(3,3,4-trimethylpiperazin-1-yl)butanamide is sourced from PubChem (CID 66432051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).