N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine

C31H69N3O3Si — CID 18760418

IUPACN-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)O[Si](C)(ON(CCCCC)CCCCC)ON(CCCCC)CCCCC
InChIInChI=1S/C31H69N3O3Si/c1-8-14-20-26-32(27-21-15-9-2)35-38(7,36-33(28-22-16-10-3)29-23-17-11-4)37-34(30-24-18-12-5)31-25-19-13-6/h8-31H2,1-7H3
InChIKeyKPXVKPLOFZITNC-UHFFFAOYSA-N
MW560.00 g/mol
LogP9.40
Rot. Bonds30

About N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine

N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine (PubChem CID 18760418) has the molecular formula C31H69N3O3Si and a molecular weight of 560.00 g/mol. Its IUPAC name is N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine.

Molecular Properties

Compound NameN-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine
PubChem CID18760418
Molecular FormulaC31H69N3O3Si
Molecular Weight560.00 g/mol
Exact Mass559.51
IUPAC NameN-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)O[Si](C)(ON(CCCCC)CCCCC)ON(CCCCC)CCCCC
InChIInChI=1S/C31H69N3O3Si/c1-8-14-20-26-32(27-21-15-9-2)35-38(7,36-33(28-22-16-10-3)29-23-17-11-4)37-34(30-24-18-12-5)31-25-19-13-6/h8-31H2,1-7H3
InChIKeyKPXVKPLOFZITNC-UHFFFAOYSA-N
XLogP9.40
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.00
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N-dodecyl-N-ethoxydodecan-1-amine
CID 152741413
N-butyl-N-ethoxypentan-1-amine
CID 174575432
N-butyl-N-ethoxydodecan-1-amine
CID 150955384
N-octadecyl-N-propoxyoctadecan-1-amine
CID 22019862
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N,N-dimethyloctan-1-amine
CID 161279104
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995

Frequently Asked Questions

What is the IUPAC name of N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine?
The IUPAC name of N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine (CID 18760418) is N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine.
What is the SMILES notation for N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine?
The canonical SMILES for N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine is CCCCCN(CCCCC)O[Si](C)(ON(CCCCC)CCCCC)ON(CCCCC)CCCCC.
What is the InChIKey of N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine?
The InChIKey is KPXVKPLOFZITNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H69N3O3Si/c1-8-14-20-26-32(27-21-15-9-2)35-38(7,36-33(28-22-16-10-3)29-23-17-11-4)37-34(30-24-18-12-5)31-25-19-13-6/h8-31H2,1-7H3.
What are the key properties of N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine?
N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine has a molecular weight of 560.00 g/mol, XLogP of 9.40, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(dipentylamino)oxy]-methylsilyl]oxy-N-pentylpentan-1-amine is sourced from PubChem (CID 18760418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).