N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine

C16H35NO3Si — CID 175279525

IUPACN-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
SMILESCCCCCNCCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C16H35NO3Si/c1-5-6-8-13-17-14-10-12-16(18-2)11-7-9-15-21(16,19-3)20-4/h17H,5-15H2,1-4H3
InChIKeyIRCVMALCDLXXRV-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.39
Rot. Bonds11

About N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine

N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine (PubChem CID 175279525) has the molecular formula C16H35NO3Si and a molecular weight of 317.55 g/mol. Its IUPAC name is N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
PubChem CID175279525
Molecular FormulaC16H35NO3Si
Molecular Weight317.55 g/mol
Exact Mass317.24
IUPAC NameN-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
SMILESCCCCCNCCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C16H35NO3Si/c1-5-6-8-13-17-14-10-12-16(18-2)11-7-9-15-21(16,19-3)20-4/h17H,5-15H2,1-4H3
InChIKeyIRCVMALCDLXXRV-UHFFFAOYSA-N
XLogP3.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
CID 174392249
3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
2-(3-isothiocyanatopropyl)-1,1,2-trimethoxysilinane
CID 174434144
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
CID 174905238
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
CID 174413287
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174519087

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine?
The IUPAC name of N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine (CID 175279525) is N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine is CCCCCNCCCC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine?
The InChIKey is IRCVMALCDLXXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3Si/c1-5-6-8-13-17-14-10-12-16(18-2)11-7-9-15-21(16,19-3)20-4/h17H,5-15H2,1-4H3.
What are the key properties of N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine?
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine has a molecular weight of 317.55 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine is sourced from PubChem (CID 175279525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).