5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one

C13H28N2O — CID 159728000

IUPAC5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one
SMILESCCN(CC)C(C)CCC(=O)CNC(C)C
InChIInChI=1S/C13H28N2O/c1-6-15(7-2)12(5)8-9-13(16)10-14-11(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyNAWKTKYXAOEAMW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.06
Rot. Bonds9

About 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one

5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one (PubChem CID 159728000) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one.

Molecular Properties

Compound Name5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one
PubChem CID159728000
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one
SMILESCCN(CC)C(C)CCC(=O)CNC(C)C
InChIInChI=1S/C13H28N2O/c1-6-15(7-2)12(5)8-9-13(16)10-14-11(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyNAWKTKYXAOEAMW-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
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2-N,2-N-diethyl-1-N-propan-2-ylpropane-1,2-diamine
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CID 55214049
N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide
CID 157115895
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
1-(ethylamino)-5-methylhexan-2-one
CID 116562437
1-(propan-2-ylamino)heptan-3-one
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3-ethyl-1-(propan-2-ylamino)pentan-2-one
CID 116554985

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one?
The IUPAC name of 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one (CID 159728000) is 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one.
What is the SMILES notation for 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one?
The canonical SMILES for 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one is CCN(CC)C(C)CCC(=O)CNC(C)C.
What is the InChIKey of 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one?
The InChIKey is NAWKTKYXAOEAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-15(7-2)12(5)8-9-13(16)10-14-11(3)4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one?
5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one has a molecular weight of 228.38 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1-(propan-2-ylamino)hexan-2-one is sourced from PubChem (CID 159728000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).