N-butyl-3-dihydroxysilylbutan-1-amine

C8H21NO2Si — CID 173136150

IUPACN-butyl-3-dihydroxysilylbutan-1-amine
SMILESCCCCNCCC(C)[SiH](O)O
InChIInChI=1S/C8H21NO2Si/c1-3-4-6-9-7-5-8(2)12(10)11/h8-12H,3-7H2,1-2H3
InChIKeyZGXKLKUFBGHVBH-UHFFFAOYSA-N
MW191.35 g/mol
LogP0.36
Rot. Bonds7

About N-butyl-3-dihydroxysilylbutan-1-amine

N-butyl-3-dihydroxysilylbutan-1-amine (PubChem CID 173136150) has the molecular formula C8H21NO2Si and a molecular weight of 191.35 g/mol. Its IUPAC name is N-butyl-3-dihydroxysilylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-3-dihydroxysilylbutan-1-amine
PubChem CID173136150
Molecular FormulaC8H21NO2Si
Molecular Weight191.35 g/mol
Exact Mass191.13
IUPAC NameN-butyl-3-dihydroxysilylbutan-1-amine
SMILESCCCCNCCC(C)[SiH](O)O
InChIInChI=1S/C8H21NO2Si/c1-3-4-6-9-7-5-8(2)12(10)11/h8-12H,3-7H2,1-2H3
InChIKeyZGXKLKUFBGHVBH-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.35
LogP ≤ 50.36
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-(3-dihydroxysilylbutyl)octan-1-amine
CID 173135642
N-butyl-3-chlorobutan-1-amine
CID 65025010
N-(3-dihydroxysilylpropyl)butan-1-amine
CID 153154291
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-butylbutan-1-amine;propan-1-ol
CID 174657089
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-[(2S)-4-(butylamino)butan-2-yl]formamide
CID 143293736
3-(pentacosylamino)propane-1,1-diol
CID 87068583
N-butyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 138527062
1-(butylamino)pentane-3-thiol
CID 57210111

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-dihydroxysilylbutan-1-amine?
The IUPAC name of N-butyl-3-dihydroxysilylbutan-1-amine (CID 173136150) is N-butyl-3-dihydroxysilylbutan-1-amine.
What is the SMILES notation for N-butyl-3-dihydroxysilylbutan-1-amine?
The canonical SMILES for N-butyl-3-dihydroxysilylbutan-1-amine is CCCCNCCC(C)[SiH](O)O.
What is the InChIKey of N-butyl-3-dihydroxysilylbutan-1-amine?
The InChIKey is ZGXKLKUFBGHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO2Si/c1-3-4-6-9-7-5-8(2)12(10)11/h8-12H,3-7H2,1-2H3.
What are the key properties of N-butyl-3-dihydroxysilylbutan-1-amine?
N-butyl-3-dihydroxysilylbutan-1-amine has a molecular weight of 191.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-dihydroxysilylbutan-1-amine is sourced from PubChem (CID 173136150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).