14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one

C21H43NO — CID 58005081

IUPAC14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one
SMILESCC(C)C(=O)CCCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C21H43NO/c1-18(2)21(23)16-14-12-10-8-7-9-11-13-15-17-22(19(3)4)20(5)6/h18-20H,7-17H2,1-6H3
InChIKeyDTIYTVBAXLERNF-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.23
Rot. Bonds15

About 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one

14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one (PubChem CID 58005081) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one.

Molecular Properties

Compound Name14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one
PubChem CID58005081
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one
SMILESCC(C)C(=O)CCCCCCCCCCCN(C(C)C)C(C)C
InChIInChI=1S/C21H43NO/c1-18(2)21(23)16-14-12-10-8-7-9-11-13-15-17-22(19(3)4)20(5)6/h18-20H,7-17H2,1-6H3
InChIKeyDTIYTVBAXLERNF-UHFFFAOYSA-N
XLogP6.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.23
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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Frequently Asked Questions

What is the IUPAC name of 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one?
The IUPAC name of 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one (CID 58005081) is 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one.
What is the SMILES notation for 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one?
The canonical SMILES for 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one is CC(C)C(=O)CCCCCCCCCCCN(C(C)C)C(C)C.
What is the InChIKey of 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one?
The InChIKey is DTIYTVBAXLERNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-18(2)21(23)16-14-12-10-8-7-9-11-13-15-17-22(19(3)4)20(5)6/h18-20H,7-17H2,1-6H3.
What are the key properties of 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one?
14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one has a molecular weight of 325.58 g/mol, XLogP of 6.23, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[di(propan-2-yl)amino]-2-methyltetradecan-3-one is sourced from PubChem (CID 58005081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).