2-(2-methylbutylamino)propanamide

C8H18N2O — CID 43545337

IUPAC2-(2-methylbutylamino)propanamide
SMILESCCC(C)CNC(C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-4-6(2)5-10-7(3)8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyQAMSFLATJILXAQ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.50
Rot. Bonds5

About 2-(2-methylbutylamino)propanamide

2-(2-methylbutylamino)propanamide (PubChem CID 43545337) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-(2-methylbutylamino)propanamide.

Molecular Properties

Compound Name2-(2-methylbutylamino)propanamide
PubChem CID43545337
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-(2-methylbutylamino)propanamide
SMILESCCC(C)CNC(C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-4-6(2)5-10-7(3)8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyQAMSFLATJILXAQ-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylamino)propanamide?
The IUPAC name of 2-(2-methylbutylamino)propanamide (CID 43545337) is 2-(2-methylbutylamino)propanamide.
What is the SMILES notation for 2-(2-methylbutylamino)propanamide?
The canonical SMILES for 2-(2-methylbutylamino)propanamide is CCC(C)CNC(C)C(N)=O.
What is the InChIKey of 2-(2-methylbutylamino)propanamide?
The InChIKey is QAMSFLATJILXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-6(2)5-10-7(3)8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 2-(2-methylbutylamino)propanamide?
2-(2-methylbutylamino)propanamide has a molecular weight of 158.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylamino)propanamide is sourced from PubChem (CID 43545337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).