4-amino-6-(ethylamino)hexan-3-one

C8H18N2O — CID 163948999

IUPAC4-amino-6-(ethylamino)hexan-3-one
SMILESCCNCCC(N)C(=O)CC
InChIInChI=1S/C8H18N2O/c1-3-8(11)7(9)5-6-10-4-2/h7,10H,3-6,9H2,1-2H3
InChIKeyRXQJGRGJINNGTI-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.29
Rot. Bonds6

About 4-amino-6-(ethylamino)hexan-3-one

4-amino-6-(ethylamino)hexan-3-one (PubChem CID 163948999) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-amino-6-(ethylamino)hexan-3-one.

Molecular Properties

Compound Name4-amino-6-(ethylamino)hexan-3-one
PubChem CID163948999
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-amino-6-(ethylamino)hexan-3-one
SMILESCCNCCC(N)C(=O)CC
InChIInChI=1S/C8H18N2O/c1-3-8(11)7(9)5-6-10-4-2/h7,10H,3-6,9H2,1-2H3
InChIKeyRXQJGRGJINNGTI-UHFFFAOYSA-N
XLogP0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.29
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

(3R)-3-amino-5-(ethylamino)pentan-2-one
CID 89122080
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
4-aminoheptan-3-one;ethane
CID 143359235
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
(2S)-1,2-diaminopentan-3-one
CID 88560983
2-amino-1-sulfanylpentan-3-one
CID 59888433
(2S)-2-amino-1-sulfanylpentan-3-one
CID 71474608
2-(3-amino-4-oxohexyl)guanidine
CID 91590692
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
(3R)-3-amino-4-oxohexanamide
CID 139478456
N-(5-amino-6-oxooctyl)-4-(2-methylpropanoylamino)butanamide
CID 177135756

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(ethylamino)hexan-3-one?
The IUPAC name of 4-amino-6-(ethylamino)hexan-3-one (CID 163948999) is 4-amino-6-(ethylamino)hexan-3-one.
What is the SMILES notation for 4-amino-6-(ethylamino)hexan-3-one?
The canonical SMILES for 4-amino-6-(ethylamino)hexan-3-one is CCNCCC(N)C(=O)CC.
What is the InChIKey of 4-amino-6-(ethylamino)hexan-3-one?
The InChIKey is RXQJGRGJINNGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-8(11)7(9)5-6-10-4-2/h7,10H,3-6,9H2,1-2H3.
What are the key properties of 4-amino-6-(ethylamino)hexan-3-one?
4-amino-6-(ethylamino)hexan-3-one has a molecular weight of 158.24 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(ethylamino)hexan-3-one is sourced from PubChem (CID 163948999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).