N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide

C9H20N2O — CID 63733019

IUPACN-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)CN
InChIInChI=1S/C9H20N2O/c1-5-9(3,4)8(12)11-7(2)6-10/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyYXGAGLIXSYKZTD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide

N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide (PubChem CID 63733019) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
PubChem CID63733019
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)CN
InChIInChI=1S/C9H20N2O/c1-5-9(3,4)8(12)11-7(2)6-10/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyYXGAGLIXSYKZTD-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
CID 71931421
N-[(2R)-1-aminopropan-2-yl]-2-fluoro-2-methylpropanamide
CID 130562063
4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid
CID 146339486
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106356781
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
CID 131998274
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
CID 63925891
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
3-amino-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylpropanamide
CID 115740019
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide (CID 63733019) is N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide?
The InChIKey is YXGAGLIXSYKZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-9(3,4)8(12)11-7(2)6-10/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide?
N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 63733019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).