2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine

C17H30N2O3Si — CID 57057257

IUPAC2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine
SMILESCO[Si](CCCC(CN)NCC=Cc1ccccc1)(OC)OC
InChIInChI=1S/C17H30N2O3Si/c1-20-23(21-2,22-3)14-8-12-17(15-18)19-13-7-11-16-9-5-4-6-10-16/h4-7,9-11,17,19H,8,12-15,18H2,1-3H3
InChIKeyBDSCDYWPTBZLMG-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.28
Rot. Bonds12

About 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine

2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine (PubChem CID 57057257) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine
PubChem CID57057257
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine
SMILESCO[Si](CCCC(CN)NCC=Cc1ccccc1)(OC)OC
InChIInChI=1S/C17H30N2O3Si/c1-20-23(21-2,22-3)14-8-12-17(15-18)19-13-7-11-16-9-5-4-6-10-16/h4-7,9-11,17,19H,8,12-15,18H2,1-3H3
InChIKeyBDSCDYWPTBZLMG-UHFFFAOYSA-N
XLogP2.28
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine 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

trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064
1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
CID 77055971
2-[[(E)-3-phenylprop-2-enyl]amino]butan-1-ol;hydrochloride
CID 17290182
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
N'-(3-phenylprop-2-enyl)propane-1,3-diamine
CID 76940305
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
CID 76997582
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine (CID 57057257) is 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine is CO[Si](CCCC(CN)NCC=Cc1ccccc1)(OC)OC.
What is the InChIKey of 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine?
The InChIKey is BDSCDYWPTBZLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-20-23(21-2,22-3)14-8-12-17(15-18)19-13-7-11-16-9-5-4-6-10-16/h4-7,9-11,17,19H,8,12-15,18H2,1-3H3.
What are the key properties of 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine?
2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine has a molecular weight of 338.52 g/mol, XLogP of 2.28, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-phenylprop-2-enyl)-5-trimethoxysilylpentane-1,2-diamine is sourced from PubChem (CID 57057257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).