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

C8H18N2O — CID 64685706

IUPAC3-amino-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C8H18N2O/c1-6(2)10-7(11)5-8(3,4)9/h6H,5,9H2,1-4H3,(H,10,11)
InChIKeyCJTZIKOHGIYYNG-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.64
Rot. Bonds3

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

3-amino-3-methyl-N-propan-2-ylbutanamide (PubChem CID 64685706) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-amino-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-propan-2-ylbutanamide
PubChem CID64685706
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-amino-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C8H18N2O/c1-6(2)10-7(11)5-8(3,4)9/h6H,5,9H2,1-4H3,(H,10,11)
InChIKeyCJTZIKOHGIYYNG-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-methyl-N-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 3-amino-3-methyl-N-propan-2-ylbutanamide (CID 64685706) is 3-amino-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-amino-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 3-amino-3-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is CJTZIKOHGIYYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)10-7(11)5-8(3,4)9/h6H,5,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-3-methyl-N-propan-2-ylbutanamide?
3-amino-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 64685706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).