1,5-bis(tert-butylamino)pentan-3-one

C13H28N2O — CID 58903028

IUPAC1,5-bis(tert-butylamino)pentan-3-one
SMILESCC(C)(C)NCCC(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-12(2,3)14-9-7-11(16)8-10-15-13(4,5)6/h14-15H,7-10H2,1-6H3
InChIKeyYGPZAGFIXWVMRU-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.11
Rot. Bonds6

About 1,5-bis(tert-butylamino)pentan-3-one

1,5-bis(tert-butylamino)pentan-3-one (PubChem CID 58903028) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,5-bis(tert-butylamino)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(tert-butylamino)pentan-3-one
PubChem CID58903028
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1,5-bis(tert-butylamino)pentan-3-one
SMILESCC(C)(C)NCCC(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-12(2,3)14-9-7-11(16)8-10-15-13(4,5)6/h14-15H,7-10H2,1-6H3
InChIKeyYGPZAGFIXWVMRU-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,5-bis(tert-butylamino)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 1,5-bis(tert-butylamino)pentan-3-one?
The IUPAC name of 1,5-bis(tert-butylamino)pentan-3-one (CID 58903028) is 1,5-bis(tert-butylamino)pentan-3-one.
What is the SMILES notation for 1,5-bis(tert-butylamino)pentan-3-one?
The canonical SMILES for 1,5-bis(tert-butylamino)pentan-3-one is CC(C)(C)NCCC(=O)CCNC(C)(C)C.
What is the InChIKey of 1,5-bis(tert-butylamino)pentan-3-one?
The InChIKey is YGPZAGFIXWVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2,3)14-9-7-11(16)8-10-15-13(4,5)6/h14-15H,7-10H2,1-6H3.
What are the key properties of 1,5-bis(tert-butylamino)pentan-3-one?
1,5-bis(tert-butylamino)pentan-3-one has a molecular weight of 228.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(tert-butylamino)pentan-3-one is sourced from PubChem (CID 58903028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).