3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one

C10H21NO — CID 154670099

IUPAC3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one
SMILESCCC(C)(C)NCC(=O)C(C)C
InChIInChI=1S/C10H21NO/c1-6-10(4,5)11-7-9(12)8(2)3/h8,11H,6-7H2,1-5H3
InChIKeyNTRCNAHTTAOJDL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds5

About 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one

3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one (PubChem CID 154670099) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one
PubChem CID154670099
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one
SMILESCCC(C)(C)NCC(=O)C(C)C
InChIInChI=1S/C10H21NO/c1-6-10(4,5)11-7-9(12)8(2)3/h8,11H,6-7H2,1-5H3
InChIKeyNTRCNAHTTAOJDL-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one 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-methyl-1-(2-methylbutan-2-ylamino)butan-2-one?
The IUPAC name of 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one (CID 154670099) is 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one.
What is the SMILES notation for 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one?
The canonical SMILES for 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one is CCC(C)(C)NCC(=O)C(C)C.
What is the InChIKey of 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one?
The InChIKey is NTRCNAHTTAOJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-10(4,5)11-7-9(12)8(2)3/h8,11H,6-7H2,1-5H3.
What are the key properties of 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one?
3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one has a molecular weight of 171.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylbutan-2-ylamino)butan-2-one is sourced from PubChem (CID 154670099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).