CID 59041172

C15H27N2O — CID 59041172

IUPAC—
SMILESCC(C)(C)CC(C)(C)N([O])C1(C#N)CCCCC1
InChIInChI=1S/C15H27N2O/c1-13(2,3)11-14(4,5)17(18)15(12-16)9-7-6-8-10-15/h6-11H2,1-5H3
InChIKeyHQMCIGBVHGYSLK-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.08
Rot. Bonds3

About CID 59041172

CID 59041172 (PubChem CID 59041172) has the molecular formula C15H27N2O and a molecular weight of 251.39 g/mol.

Molecular Properties

Compound NameCID 59041172
PubChem CID59041172
Molecular FormulaC15H27N2O
Molecular Weight251.39 g/mol
Exact Mass251.21
IUPAC Name—
SMILESCC(C)(C)CC(C)(C)N([O])C1(C#N)CCCCC1
InChIInChI=1S/C15H27N2O/c1-13(2,3)11-14(4,5)17(18)15(12-16)9-7-6-8-10-15/h6-11H2,1-5H3
InChIKeyHQMCIGBVHGYSLK-UHFFFAOYSA-N
XLogP4.08
TPSA46.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide
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(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
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N-(1-cyanocyclohexyl)-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43393702
2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
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2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 75445714
1-(2-hydroxy-1-oxopropan-2-yl)cyclooctane-1-carbonitrile
CID 80603940
1-(2-hydroxy-1-oxopropan-2-yl)cyclohexane-1-carbonitrile
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N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of CID 59041172?
The IUPAC name of CID 59041172 (CID 59041172) is not available.
What is the SMILES notation for CID 59041172?
The canonical SMILES for CID 59041172 is CC(C)(C)CC(C)(C)N([O])C1(C#N)CCCCC1.
What is the InChIKey of CID 59041172?
The InChIKey is HQMCIGBVHGYSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2O/c1-13(2,3)11-14(4,5)17(18)15(12-16)9-7-6-8-10-15/h6-11H2,1-5H3.
What are the key properties of CID 59041172?
CID 59041172 has a molecular weight of 251.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59041172 is sourced from PubChem (CID 59041172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).