8-[butyl(dihydroxy)silyl]octan-2-amine

C12H29NO2Si — CID 87684137

IUPAC8-[butyl(dihydroxy)silyl]octan-2-amine
SMILESCCCC[Si](O)(O)CCCCCCC(C)N
InChIInChI=1S/C12H29NO2Si/c1-3-4-10-16(14,15)11-8-6-5-7-9-12(2)13/h12,14-15H,3-11,13H2,1-2H3
InChIKeyVXERNTUAOKIWTG-UHFFFAOYSA-N
MW247.45 g/mol
LogP2.51
Rot. Bonds10

About 8-[butyl(dihydroxy)silyl]octan-2-amine

8-[butyl(dihydroxy)silyl]octan-2-amine (PubChem CID 87684137) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is 8-[butyl(dihydroxy)silyl]octan-2-amine.

Molecular Properties

Compound Name8-[butyl(dihydroxy)silyl]octan-2-amine
PubChem CID87684137
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name8-[butyl(dihydroxy)silyl]octan-2-amine
SMILESCCCC[Si](O)(O)CCCCCCC(C)N
InChIInChI=1S/C12H29NO2Si/c1-3-4-10-16(14,15)11-8-6-5-7-9-12(2)13/h12,14-15H,3-11,13H2,1-2H3
InChIKeyVXERNTUAOKIWTG-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[butyl(dihydroxy)silyl]octan-2-amine 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

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
nonadecane-2,14-diamine
CID 89095951
docosane-2,21-diamine
CID 150079956
carbamic acid;undecan-2-amine
CID 175209089
dodecan-1-amine;dodecan-2-amine
CID 88815564
6-methylnonadecan-2-amine
CID 54497673
propanoic acid;tetradecan-2-amine
CID 173174901
9-methoxypentadecan-2-amine
CID 89335213

Frequently Asked Questions

What is the IUPAC name of 8-[butyl(dihydroxy)silyl]octan-2-amine?
The IUPAC name of 8-[butyl(dihydroxy)silyl]octan-2-amine (CID 87684137) is 8-[butyl(dihydroxy)silyl]octan-2-amine.
What is the SMILES notation for 8-[butyl(dihydroxy)silyl]octan-2-amine?
The canonical SMILES for 8-[butyl(dihydroxy)silyl]octan-2-amine is CCCC[Si](O)(O)CCCCCCC(C)N.
What is the InChIKey of 8-[butyl(dihydroxy)silyl]octan-2-amine?
The InChIKey is VXERNTUAOKIWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-3-4-10-16(14,15)11-8-6-5-7-9-12(2)13/h12,14-15H,3-11,13H2,1-2H3.
What are the key properties of 8-[butyl(dihydroxy)silyl]octan-2-amine?
8-[butyl(dihydroxy)silyl]octan-2-amine has a molecular weight of 247.45 g/mol, XLogP of 2.51, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[butyl(dihydroxy)silyl]octan-2-amine is sourced from PubChem (CID 87684137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).