N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine

C22H48ClNSi — CID 173453033

IUPACN-(2-chloroethylsilyl)-N-methylnonadecan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(C)N(C)[SiH2]CCCl
InChIInChI=1S/C22H48ClNSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24(3)25-21-20-23/h22H,4-21,25H2,1-3H3
InChIKeyIWBKATAVPSHWFY-UHFFFAOYSA-N
MW390.17 g/mol
LogP7.31
Rot. Bonds20

About N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine

N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine (PubChem CID 173453033) has the molecular formula C22H48ClNSi and a molecular weight of 390.17 g/mol. Its IUPAC name is N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine.

Molecular Properties

Compound NameN-(2-chloroethylsilyl)-N-methylnonadecan-2-amine
PubChem CID173453033
Molecular FormulaC22H48ClNSi
Molecular Weight390.17 g/mol
Exact Mass389.32
IUPAC NameN-(2-chloroethylsilyl)-N-methylnonadecan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(C)N(C)[SiH2]CCCl
InChIInChI=1S/C22H48ClNSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24(3)25-21-20-23/h22H,4-21,25H2,1-3H3
InChIKeyIWBKATAVPSHWFY-UHFFFAOYSA-N
XLogP7.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.17
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethylsilyl)-N-methylnonadecan-2-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,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
N-nonan-2-yl-N-propylnonan-2-amine
CID 134607063
1-chloro-4-methylhexadecane
CID 88652760
N,N-di(decan-2-yl)decan-2-amine;hydrobromide
CID 173437126
13-(chloromethyl)pentacosane;N,N-dimethylmethanamine
CID 87988252
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
CID 173305145
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589
N,N-dihydroxyoctadecan-2-amine
CID 19777704
4-methyloctadecane
CID 517866

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine?
The IUPAC name of N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine (CID 173453033) is N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine.
What is the SMILES notation for N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine?
The canonical SMILES for N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine is CCCCCCCCCCCCCCCCCC(C)N(C)[SiH2]CCCl.
What is the InChIKey of N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine?
The InChIKey is IWBKATAVPSHWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48ClNSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24(3)25-21-20-23/h22H,4-21,25H2,1-3H3.
What are the key properties of N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine?
N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine has a molecular weight of 390.17 g/mol, XLogP of 7.31, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethylsilyl)-N-methylnonadecan-2-amine is sourced from PubChem (CID 173453033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).