ethane;4-(ethylamino)-5-hydroxyhexan-3-one

C10H23NO2 — CID 167491722

IUPACethane;4-(ethylamino)-5-hydroxyhexan-3-one
SMILESCC.CCNC(C(=O)CC)C(C)O
InChIInChI=1S/C8H17NO2.C2H6/c1-4-7(11)8(6(3)10)9-5-2;1-2/h6,8-10H,4-5H2,1-3H3;1-2H3
InChIKeyCSCLTYMLDPEHAV-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.35
Rot. Bonds5

About ethane;4-(ethylamino)-5-hydroxyhexan-3-one

ethane;4-(ethylamino)-5-hydroxyhexan-3-one (PubChem CID 167491722) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;4-(ethylamino)-5-hydroxyhexan-3-one.

Molecular Properties

Compound Nameethane;4-(ethylamino)-5-hydroxyhexan-3-one
PubChem CID167491722
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;4-(ethylamino)-5-hydroxyhexan-3-one
SMILESCC.CCNC(C(=O)CC)C(C)O
InChIInChI=1S/C8H17NO2.C2H6/c1-4-7(11)8(6(3)10)9-5-2;1-2/h6,8-10H,4-5H2,1-3H3;1-2H3
InChIKeyCSCLTYMLDPEHAV-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(ethylamino)-5-hydroxyhexan-3-one?
The IUPAC name of ethane;4-(ethylamino)-5-hydroxyhexan-3-one (CID 167491722) is ethane;4-(ethylamino)-5-hydroxyhexan-3-one.
What is the SMILES notation for ethane;4-(ethylamino)-5-hydroxyhexan-3-one?
The canonical SMILES for ethane;4-(ethylamino)-5-hydroxyhexan-3-one is CC.CCNC(C(=O)CC)C(C)O.
What is the InChIKey of ethane;4-(ethylamino)-5-hydroxyhexan-3-one?
The InChIKey is CSCLTYMLDPEHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6/c1-4-7(11)8(6(3)10)9-5-2;1-2/h6,8-10H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;4-(ethylamino)-5-hydroxyhexan-3-one?
ethane;4-(ethylamino)-5-hydroxyhexan-3-one has a molecular weight of 189.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(ethylamino)-5-hydroxyhexan-3-one is sourced from PubChem (CID 167491722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).