1-(dimethylamino)nonadecan-3-one;hydrochloride

C21H44ClNO — CID 160791865

IUPAC1-(dimethylamino)nonadecan-3-one;hydrochloride
SMILESCCCCCCCCCCCCCCCCC(=O)CCN(C)C.Cl
InChIInChI=1S/C21H43NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(2)3;/h4-20H2,1-3H3;1H
InChIKeySBXUWWJQLHFJTA-UHFFFAOYSA-N
MW362.04 g/mol
LogP6.80
Rot. Bonds18

About 1-(dimethylamino)nonadecan-3-one;hydrochloride

1-(dimethylamino)nonadecan-3-one;hydrochloride (PubChem CID 160791865) has the molecular formula C21H44ClNO and a molecular weight of 362.04 g/mol. Its IUPAC name is 1-(dimethylamino)nonadecan-3-one;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)nonadecan-3-one;hydrochloride
PubChem CID160791865
Molecular FormulaC21H44ClNO
Molecular Weight362.04 g/mol
Exact Mass361.31
IUPAC Name1-(dimethylamino)nonadecan-3-one;hydrochloride
SMILESCCCCCCCCCCCCCCCCC(=O)CCN(C)C.Cl
InChIInChI=1S/C21H43NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(2)3;/h4-20H2,1-3H3;1H
InChIKeySBXUWWJQLHFJTA-UHFFFAOYSA-N
XLogP6.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.04
LogP ≤ 56.80
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)nonan-3-one
CID 115345762
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)nonadecan-3-one;hydrochloride?
The IUPAC name of 1-(dimethylamino)nonadecan-3-one;hydrochloride (CID 160791865) is 1-(dimethylamino)nonadecan-3-one;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)nonadecan-3-one;hydrochloride?
The canonical SMILES for 1-(dimethylamino)nonadecan-3-one;hydrochloride is CCCCCCCCCCCCCCCCC(=O)CCN(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)nonadecan-3-one;hydrochloride?
The InChIKey is SBXUWWJQLHFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(2)3;/h4-20H2,1-3H3;1H.
What are the key properties of 1-(dimethylamino)nonadecan-3-one;hydrochloride?
1-(dimethylamino)nonadecan-3-one;hydrochloride has a molecular weight of 362.04 g/mol, XLogP of 6.80, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)nonadecan-3-one;hydrochloride is sourced from PubChem (CID 160791865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).