2-amino-3-methyl-N-propan-2-ylbutanamide

C8H18N2O — CID 14723624

IUPAC2-amino-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(N)C(C)C
InChIInChI=1S/C8H18N2O/c1-5(2)7(9)8(11)10-6(3)4/h5-7H,9H2,1-4H3,(H,10,11)
InChIKeyCIIJAGYKJKFWLK-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.49
Rot. Bonds3

About 2-amino-3-methyl-N-propan-2-ylbutanamide

2-amino-3-methyl-N-propan-2-ylbutanamide (PubChem CID 14723624) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-amino-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-propan-2-ylbutanamide
PubChem CID14723624
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-amino-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(N)C(C)C
InChIInChI=1S/C8H18N2O/c1-5(2)7(9)8(11)10-6(3)4/h5-7H,9H2,1-4H3,(H,10,11)
InChIKeyCIIJAGYKJKFWLK-UHFFFAOYSA-N
XLogP0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-amino-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-3-methyl-N-propan-2-ylbutanamide (CID 14723624) is 2-amino-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-3-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is CIIJAGYKJKFWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5(2)7(9)8(11)10-6(3)4/h5-7H,9H2,1-4H3,(H,10,11).
What are the key properties of 2-amino-3-methyl-N-propan-2-ylbutanamide?
2-amino-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.49, 3 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-propan-2-ylbutanamide is sourced from PubChem (CID 14723624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).