1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one

C15H31NO2 — CID 114228990

IUPAC1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one
SMILESCCCCN(CCC(=O)C(C)(C)OC)C(C)CC
InChIInChI=1S/C15H31NO2/c1-7-9-11-16(13(3)8-2)12-10-14(17)15(4,5)18-6/h13H,7-12H2,1-6H3
InChIKeyJVXJTUZGVKNFET-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.27
Rot. Bonds10

About 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one

1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one (PubChem CID 114228990) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one
PubChem CID114228990
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one
SMILESCCCCN(CCC(=O)C(C)(C)OC)C(C)CC
InChIInChI=1S/C15H31NO2/c1-7-9-11-16(13(3)8-2)12-10-14(17)15(4,5)18-6/h13H,7-12H2,1-6H3
InChIKeyJVXJTUZGVKNFET-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one
CID 114228961
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823
6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
CID 106801251
4-[butan-2-yl(butyl)amino]-2,2-dimethylbutanethioamide
CID 65249143
1-hydroxy-3-methoxy-3-methylbutan-2-one
CID 126974632
2-methoxy-2-methyl-N,N-dipentylpropanamide
CID 103028912
2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide
CID 63919688
2-methoxy-2,6,6-trimethylheptan-3-one
CID 79196927
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one?
The IUPAC name of 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one (CID 114228990) is 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one.
What is the SMILES notation for 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one?
The canonical SMILES for 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one is CCCCN(CCC(=O)C(C)(C)OC)C(C)CC.
What is the InChIKey of 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one?
The InChIKey is JVXJTUZGVKNFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-7-9-11-16(13(3)8-2)12-10-14(17)15(4,5)18-6/h13H,7-12H2,1-6H3.
What are the key properties of 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one?
1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one has a molecular weight of 257.42 g/mol, XLogP of 3.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(butyl)amino]-4-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 114228990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).