4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one

C10H21NO — CID 15635562

IUPAC4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NCCC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)11-7-6-9(12)10(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyFANQFFMFYNYAPU-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds4

About 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one

4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one (PubChem CID 15635562) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one
PubChem CID15635562
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NCCC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)11-7-6-9(12)10(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyFANQFFMFYNYAPU-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-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 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one?
The IUPAC name of 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one (CID 15635562) is 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one is CC(C)NCCC(=O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one?
The InChIKey is FANQFFMFYNYAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-7-6-9(12)10(3,4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one?
4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one has a molecular weight of 171.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 15635562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).