hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium

C11H22NO2ScSi- — CID 153224944

IUPAChydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium
SMILESCC1CCC(C(=O)NCCC[SiH-]O)CC1.[Sc]
InChIInChI=1S/C11H22NO2Si.Sc/c1-9-3-5-10(6-4-9)11(13)12-7-2-8-15-14;/h9-10,14-15H,2-8H2,1H3,(H,12,13);/q-1;
InChIKeyAFJKMSDBVYUSJK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.08
Rot. Bonds5

About hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium

hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium (PubChem CID 153224944) has the molecular formula C11H22NO2ScSi- and a molecular weight of 273.34 g/mol. Its IUPAC name is hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium.

Molecular Properties

Compound Namehydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium
PubChem CID153224944
Molecular FormulaC11H22NO2ScSi-
Molecular Weight273.34 g/mol
Exact Mass273.10
IUPAC Namehydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium
SMILESCC1CCC(C(=O)NCCC[SiH-]O)CC1.[Sc]
InChIInChI=1S/C11H22NO2Si.Sc/c1-9-3-5-10(6-4-9)11(13)12-7-2-8-15-14;/h9-10,14-15H,2-8H2,1H3,(H,12,13);/q-1;
InChIKeyAFJKMSDBVYUSJK-UHFFFAOYSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
CID 144908622
N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
CID 106307018
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
N-[2-[[(1S,3R)-3-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357833
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide
CID 115647439

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium?
The IUPAC name of hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium (CID 153224944) is hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium.
What is the SMILES notation for hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium?
The canonical SMILES for hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium is CC1CCC(C(=O)NCCC[SiH-]O)CC1.[Sc].
What is the InChIKey of hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium?
The InChIKey is AFJKMSDBVYUSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2Si.Sc/c1-9-3-5-10(6-4-9)11(13)12-7-2-8-15-14;/h9-10,14-15H,2-8H2,1H3,(H,12,13);/q-1;.
What are the key properties of hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium?
hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium has a molecular weight of 273.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium is sourced from PubChem (CID 153224944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).