1-(butylamino)nonadecan-4-one

C23H47NO — CID 156784591

IUPAC1-(butylamino)nonadecan-4-one
SMILESCCCCCCCCCCCCCCCC(=O)CCCNCCCC
InChIInChI=1S/C23H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23(25)20-18-22-24-21-6-4-2/h24H,3-22H2,1-2H3
InChIKeySQVMFOGGBBVASX-UHFFFAOYSA-N
MW353.64 g/mol
LogP7.21
Rot. Bonds21

About 1-(butylamino)nonadecan-4-one

1-(butylamino)nonadecan-4-one (PubChem CID 156784591) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is 1-(butylamino)nonadecan-4-one.

Molecular Properties

Compound Name1-(butylamino)nonadecan-4-one
PubChem CID156784591
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name1-(butylamino)nonadecan-4-one
SMILESCCCCCCCCCCCCCCCC(=O)CCCNCCCC
InChIInChI=1S/C23H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23(25)20-18-22-24-21-6-4-2/h24H,3-22H2,1-2H3
InChIKeySQVMFOGGBBVASX-UHFFFAOYSA-N
XLogP7.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;1-(4-oxopentadecylamino)pentadecan-4-one
CID 170312287
1-(3,3-dihydroxypropylamino)heptadecan-4-one
CID 87068209
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
N-butylbutan-1-amine;octanoic acid
CID 53326963
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297
dodecan-5-one
CID 29771

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)nonadecan-4-one?
The IUPAC name of 1-(butylamino)nonadecan-4-one (CID 156784591) is 1-(butylamino)nonadecan-4-one.
What is the SMILES notation for 1-(butylamino)nonadecan-4-one?
The canonical SMILES for 1-(butylamino)nonadecan-4-one is CCCCCCCCCCCCCCCC(=O)CCCNCCCC.
What is the InChIKey of 1-(butylamino)nonadecan-4-one?
The InChIKey is SQVMFOGGBBVASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23(25)20-18-22-24-21-6-4-2/h24H,3-22H2,1-2H3.
What are the key properties of 1-(butylamino)nonadecan-4-one?
1-(butylamino)nonadecan-4-one has a molecular weight of 353.64 g/mol, XLogP of 7.21, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)nonadecan-4-one is sourced from PubChem (CID 156784591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).