4-diethoxysilyl-4-isocyanatopentan-1-amine

C10H22N2O3Si — CID 154150429

IUPAC4-diethoxysilyl-4-isocyanatopentan-1-amine
SMILESCCO[SiH](OCC)C(C)(CCCN)N=C=O
InChIInChI=1S/C10H22N2O3Si/c1-4-14-16(15-5-2)10(3,12-9-13)7-6-8-11/h16H,4-8,11H2,1-3H3
InChIKeyMXNSHXRLJQYCHH-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.65
Rot. Bonds9

About 4-diethoxysilyl-4-isocyanatopentan-1-amine

4-diethoxysilyl-4-isocyanatopentan-1-amine (PubChem CID 154150429) has the molecular formula C10H22N2O3Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-diethoxysilyl-4-isocyanatopentan-1-amine.

Molecular Properties

Compound Name4-diethoxysilyl-4-isocyanatopentan-1-amine
PubChem CID154150429
Molecular FormulaC10H22N2O3Si
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-diethoxysilyl-4-isocyanatopentan-1-amine
SMILESCCO[SiH](OCC)C(C)(CCCN)N=C=O
InChIInChI=1S/C10H22N2O3Si/c1-4-14-16(15-5-2)10(3,12-9-13)7-6-8-11/h16H,4-8,11H2,1-3H3
InChIKeyMXNSHXRLJQYCHH-UHFFFAOYSA-N
XLogP0.65
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

3-[3-aminopropyl(ethoxy)silyl]propan-1-amine
CID 175017432
diethoxy(2-methylpentan-2-yl)silane
CID 123470721
3,6-diisocyanato-3,6-dimethyloctane
CID 20528064
ethyl 2-diethoxysilyl-2-methylpropanoate
CID 151289065
3-[2-aminoethyl(ethoxy)silyl]propan-1-amine
CID 123515841
2-isocyanato-2-methylpropane;octane
CID 19005108
ethyl 5-amino-2-bromo-2-methylpentanoate
CID 155676836
ethane-1,2-diamine;triethoxysilane
CID 175110437
6,6-diisocyanatopentadecane
CID 141432192
1,1-diethoxyethyl(diethoxy)silane
CID 173335290
3,5-ditert-butyl-3,5-diisocyanato-2,2,6,6-tetramethylheptane
CID 20528071
3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
CID 18620385

Frequently Asked Questions

What is the IUPAC name of 4-diethoxysilyl-4-isocyanatopentan-1-amine?
The IUPAC name of 4-diethoxysilyl-4-isocyanatopentan-1-amine (CID 154150429) is 4-diethoxysilyl-4-isocyanatopentan-1-amine.
What is the SMILES notation for 4-diethoxysilyl-4-isocyanatopentan-1-amine?
The canonical SMILES for 4-diethoxysilyl-4-isocyanatopentan-1-amine is CCO[SiH](OCC)C(C)(CCCN)N=C=O.
What is the InChIKey of 4-diethoxysilyl-4-isocyanatopentan-1-amine?
The InChIKey is MXNSHXRLJQYCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3Si/c1-4-14-16(15-5-2)10(3,12-9-13)7-6-8-11/h16H,4-8,11H2,1-3H3.
What are the key properties of 4-diethoxysilyl-4-isocyanatopentan-1-amine?
4-diethoxysilyl-4-isocyanatopentan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxysilyl-4-isocyanatopentan-1-amine is sourced from PubChem (CID 154150429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).