1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone

C15H25N3O — CID 145488759

IUPAC1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CNCCCCCN(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-13(19)15-8-7-14(12-17-15)11-16-9-5-4-6-10-18(2)3/h7-8,12,16H,4-6,9-11H2,1-3H3
InChIKeyNHNBBEWAVHFPKK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.11
Rot. Bonds9

About 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone

1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone (PubChem CID 145488759) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone
PubChem CID145488759
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CNCCCCCN(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-13(19)15-8-7-14(12-17-15)11-16-9-5-4-6-10-18(2)3/h7-8,12,16H,4-6,9-11H2,1-3H3
InChIKeyNHNBBEWAVHFPKK-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone (CID 145488759) is 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone is CC(=O)c1ccc(CNCCCCCN(C)C)cn1.
What is the InChIKey of 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone?
The InChIKey is NHNBBEWAVHFPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(19)15-8-7-14(12-17-15)11-16-9-5-4-6-10-18(2)3/h7-8,12,16H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone?
1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-(dimethylamino)pentylamino]methyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 145488759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).