CID 160729242

C13H29KNRu — CID 160729242

IUPAC—
SMILESCC(C)(C)CCCCCCCCCN.[K].[Ru]
InChIInChI=1S/C13H29N.K.Ru/c1-13(2,3)11-9-7-5-4-6-8-10-12-14;;/h4-12,14H2,1-3H3;;
InChIKeyZVJKDXLFIPLPEN-UHFFFAOYSA-N
MW339.55 g/mol
LogP3.73
Rot. Bonds8

About CID 160729242

CID 160729242 (PubChem CID 160729242) has the molecular formula C13H29KNRu and a molecular weight of 339.55 g/mol.

Molecular Properties

Compound NameCID 160729242
PubChem CID160729242
Molecular FormulaC13H29KNRu
Molecular Weight339.55 g/mol
Exact Mass340.10
IUPAC Name—
SMILESCC(C)(C)CCCCCCCCCN.[K].[Ru]
InChIInChI=1S/C13H29N.K.Ru/c1-13(2,3)11-9-7-5-4-6-8-10-12-14;;/h4-12,14H2,1-3H3;;
InChIKeyZVJKDXLFIPLPEN-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12,12-dimethyltridecan-1-amine
CID 87103604
18,18-dimethylnonadecan-1-amine
CID 53249240
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
4,4-dimethylpentan-1-amine
CID 14454757
hexane-1,5,5-triamine
CID 23298659
11-methyldodecane-1,11-diamine;propane
CID 145179809
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
hexane-1,6-diamine;methanamine
CID 174275715
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
13-iodo-7,7-dimethyltridecan-1-amine
CID 89328032

Frequently Asked Questions

What is the IUPAC name of CID 160729242?
The IUPAC name of CID 160729242 (CID 160729242) is not available.
What is the SMILES notation for CID 160729242?
The canonical SMILES for CID 160729242 is CC(C)(C)CCCCCCCCCN.[K].[Ru].
What is the InChIKey of CID 160729242?
The InChIKey is ZVJKDXLFIPLPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.K.Ru/c1-13(2,3)11-9-7-5-4-6-8-10-12-14;;/h4-12,14H2,1-3H3;;.
What are the key properties of CID 160729242?
CID 160729242 has a molecular weight of 339.55 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160729242 is sourced from PubChem (CID 160729242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).