8-amino-5-(ethylamino)octan-3-one

C10H22N2O — CID 170040834

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

About 8-amino-5-(ethylamino)octan-3-one

8-amino-5-(ethylamino)octan-3-one (PubChem CID 170040834) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 8-amino-5-(ethylamino)octan-3-one.

Molecular Properties

Compound Name8-amino-5-(ethylamino)octan-3-one
PubChem CID170040834
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name8-amino-5-(ethylamino)octan-3-one
SMILESCCNC(CCCN)CC(=O)CC
InChIInChI=1S/C10H22N2O/c1-3-10(13)8-9(12-4-2)6-5-7-11/h9,12H,3-8,11H2,1-2H3
InChIKeyCAPQDGKPSCLGKO-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

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Related Compounds

8-amino-5-(ethylamino)-2-methyloctan-3-one
CID 167221921
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
ethyl 3-(ethylamino)heptanoate
CID 65233712
(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine
CID 10805361
8-amino-4-(ethylamino)octan-3-one
CID 20755672
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
4-N-ethylocta-6,7-diene-1,4-diamine
CID 57256181
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
3-N-[2,2-bis(ethylamino)ethyl]hexane-1,3,6-triamine
CID 54314334
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
5-amino-N-ethyl-2-methylpentanamide
CID 134525204

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-(ethylamino)octan-3-one?
The IUPAC name of 8-amino-5-(ethylamino)octan-3-one (CID 170040834) is 8-amino-5-(ethylamino)octan-3-one.
What is the SMILES notation for 8-amino-5-(ethylamino)octan-3-one?
The canonical SMILES for 8-amino-5-(ethylamino)octan-3-one is CCNC(CCCN)CC(=O)CC.
What is the InChIKey of 8-amino-5-(ethylamino)octan-3-one?
The InChIKey is CAPQDGKPSCLGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-10(13)8-9(12-4-2)6-5-7-11/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 8-amino-5-(ethylamino)octan-3-one?
8-amino-5-(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-5-(ethylamino)octan-3-one is sourced from PubChem (CID 170040834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).