2-amino-3-methyl-N-propylbutanamide

C8H18N2O — CID 20596407

IUPAC2-amino-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)C(N)C(C)C
InChIInChI=1S/C8H18N2O/c1-4-5-10-8(11)7(9)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyZJBQYKNGNZERTC-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.50
Rot. Bonds4

About 2-amino-3-methyl-N-propylbutanamide

2-amino-3-methyl-N-propylbutanamide (PubChem CID 20596407) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-amino-3-methyl-N-propylbutanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-propylbutanamide
PubChem CID20596407
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-amino-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)C(N)C(C)C
InChIInChI=1S/C8H18N2O/c1-4-5-10-8(11)7(9)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyZJBQYKNGNZERTC-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-propylbutanamide?
The IUPAC name of 2-amino-3-methyl-N-propylbutanamide (CID 20596407) is 2-amino-3-methyl-N-propylbutanamide.
What is the SMILES notation for 2-amino-3-methyl-N-propylbutanamide?
The canonical SMILES for 2-amino-3-methyl-N-propylbutanamide is CCCNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-propylbutanamide?
The InChIKey is ZJBQYKNGNZERTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-5-10-8(11)7(9)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-amino-3-methyl-N-propylbutanamide?
2-amino-3-methyl-N-propylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-propylbutanamide is sourced from PubChem (CID 20596407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).