N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine

C17H40N2O3Si — CID 175131776

IUPACN-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
SMILESCCCCNCCCCO[Si](CCCNCCCC)(OC)OC
InChIInChI=1S/C17H40N2O3Si/c1-5-7-12-18-14-9-10-16-22-23(20-3,21-4)17-11-15-19-13-8-6-2/h18-19H,5-17H2,1-4H3
InChIKeyLANRICULOSDLDV-UHFFFAOYSA-N
MW348.60 g/mol
LogP3.18
Rot. Bonds18

About N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine

N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine (PubChem CID 175131776) has the molecular formula C17H40N2O3Si and a molecular weight of 348.60 g/mol. Its IUPAC name is N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine.

Molecular Properties

Compound NameN-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
PubChem CID175131776
Molecular FormulaC17H40N2O3Si
Molecular Weight348.60 g/mol
Exact Mass348.28
IUPAC NameN-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
SMILESCCCCNCCCCO[Si](CCCNCCCC)(OC)OC
InChIInChI=1S/C17H40N2O3Si/c1-5-7-12-18-14-9-10-16-22-23(20-3,21-4)17-11-15-19-13-8-6-2/h18-19H,5-17H2,1-4H3
InChIKeyLANRICULOSDLDV-UHFFFAOYSA-N
XLogP3.18
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478
N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine
CID 171623472
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
butoxy-butyl-dimethoxysilane
CID 139714527
N-(2-trimethoxysilylethyl)hexan-1-amine
CID 87738268
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N-butyl-5-trimethylsilyloxypentan-1-amine
CID 141054406
3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
CID 171623611
N-methyl-3-tributoxysilylpropan-1-amine
CID 87391631
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine?
The IUPAC name of N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine (CID 175131776) is N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine.
What is the SMILES notation for N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine?
The canonical SMILES for N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine is CCCCNCCCCO[Si](CCCNCCCC)(OC)OC.
What is the InChIKey of N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine?
The InChIKey is LANRICULOSDLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N2O3Si/c1-5-7-12-18-14-9-10-16-22-23(20-3,21-4)17-11-15-19-13-8-6-2/h18-19H,5-17H2,1-4H3.
What are the key properties of N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine?
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine has a molecular weight of 348.60 g/mol, XLogP of 3.18, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine is sourced from PubChem (CID 175131776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).