bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone

C17H28N2O — CID 54498059

IUPACbis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone
SMILESCCCC1=NCCCC1C(=O)C1CCCN=C1CCC
InChIInChI=1S/C17H28N2O/c1-3-7-15-13(9-5-11-18-15)17(20)14-10-6-12-19-16(14)8-4-2/h13-14H,3-12H2,1-2H3
InChIKeyYANCRWOUZAHMBR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.86
Rot. Bonds6

About bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone

bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone (PubChem CID 54498059) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone.

Molecular Properties

Compound Namebis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone
PubChem CID54498059
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Namebis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone
SMILESCCCC1=NCCCC1C(=O)C1CCCN=C1CCC
InChIInChI=1S/C17H28N2O/c1-3-7-15-13(9-5-11-18-15)17(20)14-10-6-12-19-16(14)8-4-2/h13-14H,3-12H2,1-2H3
InChIKeyYANCRWOUZAHMBR-UHFFFAOYSA-N
XLogP3.86
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
CID 4096510
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
3,4,4a,6,7,8-hexahydro-2H-quinolin-5-one
CID 54012177
7,7-Dimethyl-2,3,4,4a,6,8-hexahydroquinolin-5-one
CID 54017108
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
CID 57329290
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615837
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615868
3-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
CID 69098499
2,7-dimethyl-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione
CID 91381379
(3S,4S)-4-(butan-2-ylideneamino)-3-propylheptan-2-one
CID 118508526

Frequently Asked Questions

What is the IUPAC name of bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone?
The IUPAC name of bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone (CID 54498059) is bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone.
What is the SMILES notation for bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone?
The canonical SMILES for bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone is CCCC1=NCCCC1C(=O)C1CCCN=C1CCC.
What is the InChIKey of bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone?
The InChIKey is YANCRWOUZAHMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-7-15-13(9-5-11-18-15)17(20)14-10-6-12-19-16(14)8-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone?
bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone has a molecular weight of 276.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-propyl-2,3,4,5-tetrahydropyridin-5-yl)methanone is sourced from PubChem (CID 54498059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).