2-(diethylamino)-2-methylnonan-3-one

C14H29NO — CID 79054028

IUPAC2-(diethylamino)-2-methylnonan-3-one
SMILESCCCCCCC(=O)C(C)(C)N(CC)CC
InChIInChI=1S/C14H29NO/c1-6-9-10-11-12-13(16)14(4,5)15(7-2)8-3/h6-12H2,1-5H3
InChIKeyKUNCQPAHLBEFRK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.65
Rot. Bonds9

About 2-(diethylamino)-2-methylnonan-3-one

2-(diethylamino)-2-methylnonan-3-one (PubChem CID 79054028) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(diethylamino)-2-methylnonan-3-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methylnonan-3-one
PubChem CID79054028
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(diethylamino)-2-methylnonan-3-one
SMILESCCCCCCC(=O)C(C)(C)N(CC)CC
InChIInChI=1S/C14H29NO/c1-6-9-10-11-12-13(16)14(4,5)15(7-2)8-3/h6-12H2,1-5H3
InChIKeyKUNCQPAHLBEFRK-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-2-methyloct-7-en-3-one
CID 79053331
2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
2-fluoro-2-methyldecan-3-one
CID 14645302
17-(dimethylamino)-17-methyltritriacontane-16,18-dione;hydrochloride
CID 172995410
(2R,3R)-2,3-di(decanoyl)-2,3-dihydroxybutanedioic acid
CID 139659020
5,5-dimethyltridecan-6-one
CID 19931387
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
2,2-dimethyl-3-oxoundecanamide
CID 139713201
2,2-dimethyloctadecan-3-one;hexadecanoic acid
CID 159228095
3-amino-3-methylhexadecan-4-one
CID 116590430
15-hydroxy-15-(hydroxymethyl)nonacosane-14,16-dione
CID 87574450

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methylnonan-3-one?
The IUPAC name of 2-(diethylamino)-2-methylnonan-3-one (CID 79054028) is 2-(diethylamino)-2-methylnonan-3-one.
What is the SMILES notation for 2-(diethylamino)-2-methylnonan-3-one?
The canonical SMILES for 2-(diethylamino)-2-methylnonan-3-one is CCCCCCC(=O)C(C)(C)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-2-methylnonan-3-one?
The InChIKey is KUNCQPAHLBEFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-9-10-11-12-13(16)14(4,5)15(7-2)8-3/h6-12H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-methylnonan-3-one?
2-(diethylamino)-2-methylnonan-3-one has a molecular weight of 227.39 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methylnonan-3-one is sourced from PubChem (CID 79054028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).