8-amino-5-(ethylamino)-2-methyloctan-3-one

C11H24N2O — CID 167221921

IUPAC8-amino-5-(ethylamino)-2-methyloctan-3-one
SMILESCCNC(CCCN)CC(=O)C(C)C
InChIInChI=1S/C11H24N2O/c1-4-13-10(6-5-7-12)8-11(14)9(2)3/h9-10,13H,4-8,12H2,1-3H3
InChIKeyQOAJYPPVMXSDQY-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.32
Rot. Bonds8

About 8-amino-5-(ethylamino)-2-methyloctan-3-one

8-amino-5-(ethylamino)-2-methyloctan-3-one (PubChem CID 167221921) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 8-amino-5-(ethylamino)-2-methyloctan-3-one.

Molecular Properties

Compound Name8-amino-5-(ethylamino)-2-methyloctan-3-one
PubChem CID167221921
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name8-amino-5-(ethylamino)-2-methyloctan-3-one
SMILESCCNC(CCCN)CC(=O)C(C)C
InChIInChI=1S/C11H24N2O/c1-4-13-10(6-5-7-12)8-11(14)9(2)3/h9-10,13H,4-8,12H2,1-3H3
InChIKeyQOAJYPPVMXSDQY-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-amino-5-(ethylamino)octan-3-one
CID 170040834
(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
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
4-N-ethylocta-6,7-diene-1,4-diamine
CID 57256181
3-N-[2,2-bis(ethylamino)ethyl]hexane-1,3,6-triamine
CID 54314334
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
7-amino-2,4-dimethylheptan-3-one
CID 116613359
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-(ethylamino)-2-methyloctan-3-one?
The IUPAC name of 8-amino-5-(ethylamino)-2-methyloctan-3-one (CID 167221921) is 8-amino-5-(ethylamino)-2-methyloctan-3-one.
What is the SMILES notation for 8-amino-5-(ethylamino)-2-methyloctan-3-one?
The canonical SMILES for 8-amino-5-(ethylamino)-2-methyloctan-3-one is CCNC(CCCN)CC(=O)C(C)C.
What is the InChIKey of 8-amino-5-(ethylamino)-2-methyloctan-3-one?
The InChIKey is QOAJYPPVMXSDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-13-10(6-5-7-12)8-11(14)9(2)3/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of 8-amino-5-(ethylamino)-2-methyloctan-3-one?
8-amino-5-(ethylamino)-2-methyloctan-3-one has a molecular weight of 200.33 g/mol, XLogP of 1.32, 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)-2-methyloctan-3-one is sourced from PubChem (CID 167221921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).