N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline

C18H33NO4Si — CID 175007746

IUPACN-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline
SMILESCCC(OC)(OC)[Si](C)(OC)OC(C)CCCNc1ccccc1
InChIInChI=1S/C18H33NO4Si/c1-7-18(20-3,21-4)24(6,22-5)23-16(2)12-11-15-19-17-13-9-8-10-14-17/h8-10,13-14,16,19H,7,11-12,15H2,1-6H3
InChIKeyNLZFHXYFQQUPNT-UHFFFAOYSA-N
MW355.55 g/mol
LogP3.94
Rot. Bonds12

About N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline

N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline (PubChem CID 175007746) has the molecular formula C18H33NO4Si and a molecular weight of 355.55 g/mol. Its IUPAC name is N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline.

Molecular Properties

Compound NameN-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline
PubChem CID175007746
Molecular FormulaC18H33NO4Si
Molecular Weight355.55 g/mol
Exact Mass355.22
IUPAC NameN-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline
SMILESCCC(OC)(OC)[Si](C)(OC)OC(C)CCCNc1ccccc1
InChIInChI=1S/C18H33NO4Si/c1-7-18(20-3,21-4)24(6,22-5)23-16(2)12-11-15-19-17-13-9-8-10-14-17/h8-10,13-14,16,19H,7,11-12,15H2,1-6H3
InChIKeyNLZFHXYFQQUPNT-UHFFFAOYSA-N
XLogP3.94
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline 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-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline
CID 175181392
N-(4-butyloctyl)aniline
CID 175196464
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234
CID 165388786
CID 165388786
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
N-[5-[ethyl(dimethoxy)silyl]pentyl]aniline
CID 142705911
N-(3,4-dimethylpentyl)aniline
CID 89346874
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N-(4-trimethylsilylbutyl)aniline
CID 172713134
N-(4-methoxybutyl)aniline
CID 13042774
N-[4-(tripropoxymethyl)dodecyl]aniline
CID 151444668

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline?
The IUPAC name of N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline (CID 175007746) is N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline.
What is the SMILES notation for N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline?
The canonical SMILES for N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline is CCC(OC)(OC)[Si](C)(OC)OC(C)CCCNc1ccccc1.
What is the InChIKey of N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline?
The InChIKey is NLZFHXYFQQUPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4Si/c1-7-18(20-3,21-4)24(6,22-5)23-16(2)12-11-15-19-17-13-9-8-10-14-17/h8-10,13-14,16,19H,7,11-12,15H2,1-6H3.
What are the key properties of N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline?
N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline has a molecular weight of 355.55 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline is sourced from PubChem (CID 175007746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).