1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone

C17H28N2O — CID 70906617

IUPAC1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone
SMILESCCCCN(CCC(C)CC)c1ccc(C(C)=O)cn1
InChIInChI=1S/C17H28N2O/c1-5-7-11-19(12-10-14(3)6-2)17-9-8-16(13-18-17)15(4)20/h8-9,13-14H,5-7,10-12H2,1-4H3
InChIKeyLVHIHKWLUNMHKH-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.33
Rot. Bonds9

About 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone

1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone (PubChem CID 70906617) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone
PubChem CID70906617
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone
SMILESCCCCN(CCC(C)CC)c1ccc(C(C)=O)cn1
InChIInChI=1S/C17H28N2O/c1-5-7-11-19(12-10-14(3)6-2)17-9-8-16(13-18-17)15(4)20/h8-9,13-14H,5-7,10-12H2,1-4H3
InChIKeyLVHIHKWLUNMHKH-UHFFFAOYSA-N
XLogP4.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone (CID 70906617) is 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone is CCCCN(CCC(C)CC)c1ccc(C(C)=O)cn1.
What is the InChIKey of 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone?
The InChIKey is LVHIHKWLUNMHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-11-19(12-10-14(3)6-2)17-9-8-16(13-18-17)15(4)20/h8-9,13-14H,5-7,10-12H2,1-4H3.
What are the key properties of 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone?
1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone has a molecular weight of 276.42 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 70906617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).