ethane;3-(ethylamino)hexan-2-one

C10H23NO — CID 142933892

IUPACethane;3-(ethylamino)hexan-2-one
SMILESCC.CCCC(NCC)C(C)=O
InChIInChI=1S/C8H17NO.C2H6/c1-4-6-8(7(3)10)9-5-2;1-2/h8-9H,4-6H2,1-3H3;1-2H3
InChIKeyMPDODYOYAPFHMN-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.38
Rot. Bonds5

About ethane;3-(ethylamino)hexan-2-one

ethane;3-(ethylamino)hexan-2-one (PubChem CID 142933892) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;3-(ethylamino)hexan-2-one.

Molecular Properties

Compound Nameethane;3-(ethylamino)hexan-2-one
PubChem CID142933892
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;3-(ethylamino)hexan-2-one
SMILESCC.CCCC(NCC)C(C)=O
InChIInChI=1S/C8H17NO.C2H6/c1-4-6-8(7(3)10)9-5-2;1-2/h8-9H,4-6H2,1-3H3;1-2H3
InChIKeyMPDODYOYAPFHMN-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-5-oxohexanal
CID 155034018
3,7-bis(ethylamino)heptan-2-one
CID 143994128
N,N-diethyl-3-(ethylamino)-2-oxohexanamide
CID 88922315
2-[(2-oxohexan-3-ylamino)methyl]butanoic acid
CID 87947082
(3S)-3-(ethylamino)-7-(methylamino)heptan-2-one
CID 122647658
CID 59124121
CID 59124121
ethane;3-(ethylamino)butan-2-one
CID 145148121
N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide
CID 90364828
2-acetamidopentanamide
CID 23273489
3,5-bis(propylamino)heptane-2,6-dione
CID 21339708
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979

Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethylamino)hexan-2-one?
The IUPAC name of ethane;3-(ethylamino)hexan-2-one (CID 142933892) is ethane;3-(ethylamino)hexan-2-one.
What is the SMILES notation for ethane;3-(ethylamino)hexan-2-one?
The canonical SMILES for ethane;3-(ethylamino)hexan-2-one is CC.CCCC(NCC)C(C)=O.
What is the InChIKey of ethane;3-(ethylamino)hexan-2-one?
The InChIKey is MPDODYOYAPFHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-4-6-8(7(3)10)9-5-2;1-2/h8-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-(ethylamino)hexan-2-one?
ethane;3-(ethylamino)hexan-2-one has a molecular weight of 173.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethylamino)hexan-2-one is sourced from PubChem (CID 142933892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).