N-(3-dihydroxysilylbutyl)octan-1-amine

C12H29NO2Si — CID 173135642

IUPACN-(3-dihydroxysilylbutyl)octan-1-amine
SMILESCCCCCCCCNCCC(C)[SiH](O)O
InChIInChI=1S/C12H29NO2Si/c1-3-4-5-6-7-8-10-13-11-9-12(2)16(14)15/h12-16H,3-11H2,1-2H3
InChIKeyLDAATBQJYRJBNB-UHFFFAOYSA-N
MW247.45 g/mol
LogP1.92
Rot. Bonds11

About N-(3-dihydroxysilylbutyl)octan-1-amine

N-(3-dihydroxysilylbutyl)octan-1-amine (PubChem CID 173135642) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is N-(3-dihydroxysilylbutyl)octan-1-amine.

Molecular Properties

Compound NameN-(3-dihydroxysilylbutyl)octan-1-amine
PubChem CID173135642
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC NameN-(3-dihydroxysilylbutyl)octan-1-amine
SMILESCCCCCCCCNCCC(C)[SiH](O)O
InChIInChI=1S/C12H29NO2Si/c1-3-4-5-6-7-8-10-13-11-9-12(2)16(14)15/h12-16H,3-11H2,1-2H3
InChIKeyLDAATBQJYRJBNB-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 51.92
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'}

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Related Compounds

N-butyl-3-dihydroxysilylbutan-1-amine
CID 173136150
N-(3-methylbutyl)heptan-1-amine
CID 22348867
3-(pentacosylamino)propane-1,1-diol
CID 87068583
3-(nonadecylamino)propane-1,1-diol;hydrochloride
CID 173363692
3-(dodecylamino)propane-1,1-diol;hydrochloride
CID 173003690
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-(6-methylheptyl)octadecan-1-amine
CID 162253708

Frequently Asked Questions

What is the IUPAC name of N-(3-dihydroxysilylbutyl)octan-1-amine?
The IUPAC name of N-(3-dihydroxysilylbutyl)octan-1-amine (CID 173135642) is N-(3-dihydroxysilylbutyl)octan-1-amine.
What is the SMILES notation for N-(3-dihydroxysilylbutyl)octan-1-amine?
The canonical SMILES for N-(3-dihydroxysilylbutyl)octan-1-amine is CCCCCCCCNCCC(C)[SiH](O)O.
What is the InChIKey of N-(3-dihydroxysilylbutyl)octan-1-amine?
The InChIKey is LDAATBQJYRJBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-3-4-5-6-7-8-10-13-11-9-12(2)16(14)15/h12-16H,3-11H2,1-2H3.
What are the key properties of N-(3-dihydroxysilylbutyl)octan-1-amine?
N-(3-dihydroxysilylbutyl)octan-1-amine has a molecular weight of 247.45 g/mol, XLogP of 1.92, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dihydroxysilylbutyl)octan-1-amine is sourced from PubChem (CID 173135642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).