4-amino-N-tert-butyl-3-methylbutanamide

C9H20N2O — CID 81071972

IUPAC4-amino-N-tert-butyl-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-7(6-10)5-8(12)11-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyLOYQCGLGMUNBCP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds3

About 4-amino-N-tert-butyl-3-methylbutanamide

4-amino-N-tert-butyl-3-methylbutanamide (PubChem CID 81071972) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-methylbutanamide
PubChem CID81071972
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-amino-N-tert-butyl-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-7(6-10)5-8(12)11-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyLOYQCGLGMUNBCP-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
CID 115156508
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 81086648
4-amino-N-tert-butyl-3-(4-hydroxybutan-2-ylamino)butanamide
CID 83177401
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide
CID 81187704
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
4-amino-N-tert-butyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]butanamide
CID 103188107
4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
CID 66431224
4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 81079399
2-[2-(tert-butylamino)-2-oxoethyl]-3,4-dimethylpentanoic acid
CID 170086164
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-methylbutanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-methylbutanamide (CID 81071972) is 4-amino-N-tert-butyl-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-methylbutanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-methylbutanamide is CC(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-methylbutanamide?
The InChIKey is LOYQCGLGMUNBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(6-10)5-8(12)11-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of 4-amino-N-tert-butyl-3-methylbutanamide?
4-amino-N-tert-butyl-3-methylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-methylbutanamide is sourced from PubChem (CID 81071972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).