1-(azocan-1-yl)-2-methylpropan-1-one

C11H21NO — CID 17164385

IUPAC1-(azocan-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCCCCC1
InChIInChI=1S/C11H21NO/c1-10(2)11(13)12-8-6-4-3-5-7-9-12/h10H,3-9H2,1-2H3
InChIKeyLLJUCIICGSBSGM-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds1

About 1-(azocan-1-yl)-2-methylpropan-1-one

1-(azocan-1-yl)-2-methylpropan-1-one (PubChem CID 17164385) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-methylpropan-1-one
PubChem CID17164385
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(azocan-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCCCCC1
InChIInChI=1S/C11H21NO/c1-10(2)11(13)12-8-6-4-3-5-7-9-12/h10H,3-9H2,1-2H3
InChIKeyLLJUCIICGSBSGM-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(azocan-1-yl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
N-cyclohexyl-N,2-dimethylpropanamide;ethane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159813706
1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 107224856
2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one
CID 13148116
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
2-methyl-1-[(3S)-3-propan-2-ylazepan-1-yl]propan-1-one
CID 156676279

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(azocan-1-yl)-2-methylpropan-1-one (CID 17164385) is 1-(azocan-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(azocan-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(azocan-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-methylpropan-1-one?
The InChIKey is LLJUCIICGSBSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)11(13)12-8-6-4-3-5-7-9-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(azocan-1-yl)-2-methylpropan-1-one?
1-(azocan-1-yl)-2-methylpropan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 17164385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).