2-(3-methylbutan-2-ylamino)propanamide

C8H18N2O — CID 43086372

IUPAC2-(3-methylbutan-2-ylamino)propanamide
SMILESCC(NC(C)C(C)C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-5(2)6(3)10-7(4)8(9)11/h5-7,10H,1-4H3,(H2,9,11)
InChIKeyIIBLIJXQCFCKCG-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.49
Rot. Bonds4

About 2-(3-methylbutan-2-ylamino)propanamide

2-(3-methylbutan-2-ylamino)propanamide (PubChem CID 43086372) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)propanamide
PubChem CID43086372
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-(3-methylbutan-2-ylamino)propanamide
SMILESCC(NC(C)C(C)C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-5(2)6(3)10-7(4)8(9)11/h5-7,10H,1-4H3,(H2,9,11)
InChIKeyIIBLIJXQCFCKCG-UHFFFAOYSA-N
XLogP0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)propanamide?
The IUPAC name of 2-(3-methylbutan-2-ylamino)propanamide (CID 43086372) is 2-(3-methylbutan-2-ylamino)propanamide.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)propanamide?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)propanamide is CC(NC(C)C(C)C)C(N)=O.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)propanamide?
The InChIKey is IIBLIJXQCFCKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5(2)6(3)10-7(4)8(9)11/h5-7,10H,1-4H3,(H2,9,11).
What are the key properties of 2-(3-methylbutan-2-ylamino)propanamide?
2-(3-methylbutan-2-ylamino)propanamide has a molecular weight of 158.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)propanamide is sourced from PubChem (CID 43086372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).