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

C15H31NO — CID 107870488

IUPAC1-[bis(3-methylbutyl)amino]pentan-2-one
SMILESCCCC(=O)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H31NO/c1-6-7-15(17)12-16(10-8-13(2)3)11-9-14(4)5/h13-14H,6-12H2,1-5H3
InChIKeyDDKURGVRSZHINF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds10

About 1-[bis(3-methylbutyl)amino]pentan-2-one

1-[bis(3-methylbutyl)amino]pentan-2-one (PubChem CID 107870488) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[bis(3-methylbutyl)amino]pentan-2-one.

Molecular Properties

Compound Name1-[bis(3-methylbutyl)amino]pentan-2-one
PubChem CID107870488
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[bis(3-methylbutyl)amino]pentan-2-one
SMILESCCCC(=O)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H31NO/c1-6-7-15(17)12-16(10-8-13(2)3)11-9-14(4)5/h13-14H,6-12H2,1-5H3
InChIKeyDDKURGVRSZHINF-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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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Related Compounds

1-[methyl(3-methylbutyl)amino]pentan-2-one
CID 62041599
1-(dipropylamino)pentan-2-one
CID 62041814
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
1-[bis(2-ethoxyethyl)amino]pentan-2-one
CID 82952185
4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one
CID 121263417
3-[bis(3-methylbutyl)amino]propanamide
CID 103601317
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methylbutyl)amino]propanoic acid
CID 82327356
2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
CID 82329209
1-[pentyl(propan-2-yl)amino]pentan-2-one
CID 62043113
1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one
CID 102995101
2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
CID 107870710
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-methylbutyl)amino]pentan-2-one?
The IUPAC name of 1-[bis(3-methylbutyl)amino]pentan-2-one (CID 107870488) is 1-[bis(3-methylbutyl)amino]pentan-2-one.
What is the SMILES notation for 1-[bis(3-methylbutyl)amino]pentan-2-one?
The canonical SMILES for 1-[bis(3-methylbutyl)amino]pentan-2-one is CCCC(=O)CN(CCC(C)C)CCC(C)C.
What is the InChIKey of 1-[bis(3-methylbutyl)amino]pentan-2-one?
The InChIKey is DDKURGVRSZHINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-7-15(17)12-16(10-8-13(2)3)11-9-14(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-[bis(3-methylbutyl)amino]pentan-2-one?
1-[bis(3-methylbutyl)amino]pentan-2-one has a molecular weight of 241.42 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-methylbutyl)amino]pentan-2-one is sourced from PubChem (CID 107870488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).