1-(dimethylamino)nonan-3-one

C11H23NO — CID 115345762

IUPAC1-(dimethylamino)nonan-3-one
SMILESCCCCCCC(=O)CCN(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-11(13)9-10-12(2)3/h4-10H2,1-3H3
InChIKeyBVPZNHFYWQIUFZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.48
Rot. Bonds8

About 1-(dimethylamino)nonan-3-one

1-(dimethylamino)nonan-3-one (PubChem CID 115345762) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(dimethylamino)nonan-3-one.

Molecular Properties

Compound Name1-(dimethylamino)nonan-3-one
PubChem CID115345762
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(dimethylamino)nonan-3-one
SMILESCCCCCCC(=O)CCN(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-11(13)9-10-12(2)3/h4-10H2,1-3H3
InChIKeyBVPZNHFYWQIUFZ-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.48
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

1-(dimethylamino)nonadecan-3-one;hydrochloride
CID 160791865
1-(dimethylamino)heptan-3-one
CID 18322699
1-[methyl(3-oxooctadecyl)amino]octadecan-3-one
CID 141082877
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
1-(dimethylamino)-11-hexylheptadecan-6-one
CID 170053331
dodecan-5-one
CID 29771

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)nonan-3-one?
The IUPAC name of 1-(dimethylamino)nonan-3-one (CID 115345762) is 1-(dimethylamino)nonan-3-one.
What is the SMILES notation for 1-(dimethylamino)nonan-3-one?
The canonical SMILES for 1-(dimethylamino)nonan-3-one is CCCCCCC(=O)CCN(C)C.
What is the InChIKey of 1-(dimethylamino)nonan-3-one?
The InChIKey is BVPZNHFYWQIUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-7-8-11(13)9-10-12(2)3/h4-10H2,1-3H3.
What are the key properties of 1-(dimethylamino)nonan-3-one?
1-(dimethylamino)nonan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)nonan-3-one is sourced from PubChem (CID 115345762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).