N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine

C21H50N2O2Si2 — CID 154206629

IUPACN,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine
SMILESCO[SiH2]C(C)(C)CCNCCCCCCCCCNCCC(C)(C)[SiH2]OC
InChIInChI=1S/C21H50N2O2Si2/c1-20(2,26-24-5)14-18-22-16-12-10-8-7-9-11-13-17-23-19-15-21(3,4)27-25-6/h22-23H,7-19,26-27H2,1-6H3
InChIKeyFZRHTYIGQYHZFV-UHFFFAOYSA-N
MW418.82 g/mol
LogP3.53
Rot. Bonds20

About N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine

N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine (PubChem CID 154206629) has the molecular formula C21H50N2O2Si2 and a molecular weight of 418.82 g/mol. Its IUPAC name is N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine.

Molecular Properties

Compound NameN,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine
PubChem CID154206629
Molecular FormulaC21H50N2O2Si2
Molecular Weight418.82 g/mol
Exact Mass418.34
IUPAC NameN,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine
SMILESCO[SiH2]C(C)(C)CCNCCCCCCCCCNCCC(C)(C)[SiH2]OC
InChIInChI=1S/C21H50N2O2Si2/c1-20(2,26-24-5)14-18-22-16-12-10-8-7-9-11-13-17-23-19-15-21(3,4)27-25-6/h22-23H,7-19,26-27H2,1-6H3
InChIKeyFZRHTYIGQYHZFV-UHFFFAOYSA-N
XLogP3.53
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.82
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

8-methoxysilyl-8-methyl-N-(3-trimethoxysilylpropyl)nonan-1-amine
CID 175408972
3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine
CID 154087119
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
N,N'-bis(13,13,13-trimethoxytridecyl)ethane-1,2-diamine
CID 152542530
N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine
CID 162247771
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
N-(3,3,3-triethoxypropyl)undecan-1-amine
CID 159840900
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine?
The IUPAC name of N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine (CID 154206629) is N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine.
What is the SMILES notation for N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine?
The canonical SMILES for N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine is CO[SiH2]C(C)(C)CCNCCCCCCCCCNCCC(C)(C)[SiH2]OC.
What is the InChIKey of N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine?
The InChIKey is FZRHTYIGQYHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50N2O2Si2/c1-20(2,26-24-5)14-18-22-16-12-10-8-7-9-11-13-17-23-19-15-21(3,4)27-25-6/h22-23H,7-19,26-27H2,1-6H3.
What are the key properties of N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine?
N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine has a molecular weight of 418.82 g/mol, XLogP of 3.53, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine is sourced from PubChem (CID 154206629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).