4-[bis(3-methylbutyl)amino]pentan-2-one

C15H31NO — CID 107870497

IUPAC4-[bis(3-methylbutyl)amino]pentan-2-one
SMILESCC(=O)CC(C)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H31NO/c1-12(2)7-9-16(10-8-13(3)4)14(5)11-15(6)17/h12-14H,7-11H2,1-6H3
InChIKeyULBQZQHMTAKDKA-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 4-[bis(3-methylbutyl)amino]pentan-2-one

4-[bis(3-methylbutyl)amino]pentan-2-one (PubChem CID 107870497) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-[bis(3-methylbutyl)amino]pentan-2-one.

Molecular Properties

Compound Name4-[bis(3-methylbutyl)amino]pentan-2-one
PubChem CID107870497
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-[bis(3-methylbutyl)amino]pentan-2-one
SMILESCC(=O)CC(C)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H31NO/c1-12(2)7-9-16(10-8-13(3)4)14(5)11-15(6)17/h12-14H,7-11H2,1-6H3
InChIKeyULBQZQHMTAKDKA-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(3-methylbutyl)amino]pentan-2-one?
The IUPAC name of 4-[bis(3-methylbutyl)amino]pentan-2-one (CID 107870497) is 4-[bis(3-methylbutyl)amino]pentan-2-one.
What is the SMILES notation for 4-[bis(3-methylbutyl)amino]pentan-2-one?
The canonical SMILES for 4-[bis(3-methylbutyl)amino]pentan-2-one is CC(=O)CC(C)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 4-[bis(3-methylbutyl)amino]pentan-2-one?
The InChIKey is ULBQZQHMTAKDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)7-9-16(10-8-13(3)4)14(5)11-15(6)17/h12-14H,7-11H2,1-6H3.
What are the key properties of 4-[bis(3-methylbutyl)amino]pentan-2-one?
4-[bis(3-methylbutyl)amino]pentan-2-one has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3-methylbutyl)amino]pentan-2-one is sourced from PubChem (CID 107870497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).