2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride

C23H52ClNO3Si — CID 173019008

IUPAC2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCC(CCC[Si](O)(O)O)CC(C)(C)N.Cl
InChIInChI=1S/C23H51NO3Si.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(21-23(2,3)24)19-17-20-28(25,26)27;/h22,25-27H,4-21,24H2,1-3H3;1H
InChIKeyUZCHEYBQAPMKAL-UHFFFAOYSA-N
MW454.21 g/mol
LogP6.33
Rot. Bonds20

About 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride

2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride (PubChem CID 173019008) has the molecular formula C23H52ClNO3Si and a molecular weight of 454.21 g/mol. Its IUPAC name is 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride
PubChem CID173019008
Molecular FormulaC23H52ClNO3Si
Molecular Weight454.21 g/mol
Exact Mass453.34
IUPAC Name2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCC(CCC[Si](O)(O)O)CC(C)(C)N.Cl
InChIInChI=1S/C23H51NO3Si.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(21-23(2,3)24)19-17-20-28(25,26)27;/h22,25-27H,4-21,24H2,1-3H3;1H
InChIKeyUZCHEYBQAPMKAL-UHFFFAOYSA-N
XLogP6.33
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.21
LogP ≤ 56.33
H-Bond Donors ≤ 54
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 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride 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

2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
CID 87229361
2-methyl-4-(3-trimethoxysilylpropyl)nonan-2-amine
CID 87201991
2-(methylamino)-4-octadecyldocosan-2-ol
CID 175450823
17-methyl-17,19-di(tetradecyl)pentatriacontane
CID 91342880
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
13-pentylpentacosane
CID 91804884
17-pentadecyltritriacontane
CID 173257606
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride (CID 173019008) is 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride is CCCCCCCCCCCCCCCC(CCC[Si](O)(O)O)CC(C)(C)N.Cl.
What is the InChIKey of 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride?
The InChIKey is UZCHEYBQAPMKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO3Si.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(21-23(2,3)24)19-17-20-28(25,26)27;/h22,25-27H,4-21,24H2,1-3H3;1H.
What are the key properties of 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride?
2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride has a molecular weight of 454.21 g/mol, XLogP of 6.33, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride is sourced from PubChem (CID 173019008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).