8-amino-4-(ethylamino)octan-3-one

C10H22N2O — CID 20755672

IUPAC8-amino-4-(ethylamino)octan-3-one
SMILESCCNC(CCCCN)C(=O)CC
InChIInChI=1S/C10H22N2O/c1-3-10(13)9(12-4-2)7-5-6-8-11/h9,12H,3-8,11H2,1-2H3
InChIKeyFBFQBWOFFVVODL-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.07
Rot. Bonds8

About 8-amino-4-(ethylamino)octan-3-one

8-amino-4-(ethylamino)octan-3-one (PubChem CID 20755672) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 8-amino-4-(ethylamino)octan-3-one.

Molecular Properties

Compound Name8-amino-4-(ethylamino)octan-3-one
PubChem CID20755672
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name8-amino-4-(ethylamino)octan-3-one
SMILESCCNC(CCCCN)C(=O)CC
InChIInChI=1S/C10H22N2O/c1-3-10(13)9(12-4-2)7-5-6-8-11/h9,12H,3-8,11H2,1-2H3
InChIKeyFBFQBWOFFVVODL-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
4-(ethylamino)-9,9-dimethyldecan-3-one
CID 89032970
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
4-(ethylamino)hexan-3-one
CID 91533412
ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
CID 139792827
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
2-(ethylamino)-1-ethylsulfonylpentan-3-one
CID 89317453
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(ethylamino)octan-3-one?
The IUPAC name of 8-amino-4-(ethylamino)octan-3-one (CID 20755672) is 8-amino-4-(ethylamino)octan-3-one.
What is the SMILES notation for 8-amino-4-(ethylamino)octan-3-one?
The canonical SMILES for 8-amino-4-(ethylamino)octan-3-one is CCNC(CCCCN)C(=O)CC.
What is the InChIKey of 8-amino-4-(ethylamino)octan-3-one?
The InChIKey is FBFQBWOFFVVODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-10(13)9(12-4-2)7-5-6-8-11/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 8-amino-4-(ethylamino)octan-3-one?
8-amino-4-(ethylamino)octan-3-one has a molecular weight of 186.30 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(ethylamino)octan-3-one is sourced from PubChem (CID 20755672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).