2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride

C11H26ClNO3Si — CID 173360794

IUPAC2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride
SMILESC=CC(C)(C)NCCC[Si](OC)(OC)OC.Cl
InChIInChI=1S/C11H25NO3Si.ClH/c1-7-11(2,3)12-9-8-10-16(13-4,14-5)15-6;/h7,12H,1,8-10H2,2-6H3;1H
InChIKeyLTPGVUZUJDRBCC-UHFFFAOYSA-N
MW283.87 g/mol
LogP2.23
Rot. Bonds9

About 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride

2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride (PubChem CID 173360794) has the molecular formula C11H26ClNO3Si and a molecular weight of 283.87 g/mol. Its IUPAC name is 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride
PubChem CID173360794
Molecular FormulaC11H26ClNO3Si
Molecular Weight283.87 g/mol
Exact Mass283.14
IUPAC Name2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride
SMILESC=CC(C)(C)NCCC[Si](OC)(OC)OC.Cl
InChIInChI=1S/C11H25NO3Si.ClH/c1-7-11(2,3)12-9-8-10-16(13-4,14-5)15-6;/h7,12H,1,8-10H2,2-6H3;1H
InChIKeyLTPGVUZUJDRBCC-UHFFFAOYSA-N
XLogP2.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 52.23
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-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

N-(2-methylbut-3-en-2-yl)octadecan-1-amine;hydrochloride
CID 173339129
N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine
CID 71336651
N-(2-methoxyethyl)-2-methylbut-3-en-2-amine
CID 163848175
1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea
CID 140840932
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N-(3-trimethoxysilylpropyl)formamide
CID 14388644
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
3-trimethoxysilylpropylcarbamodithioic acid
CID 14513088
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine
CID 19877442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride (CID 173360794) is 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride is C=CC(C)(C)NCCC[Si](OC)(OC)OC.Cl.
What is the InChIKey of 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride?
The InChIKey is LTPGVUZUJDRBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3Si.ClH/c1-7-11(2,3)12-9-8-10-16(13-4,14-5)15-6;/h7,12H,1,8-10H2,2-6H3;1H.
What are the key properties of 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride?
2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride has a molecular weight of 283.87 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride is sourced from PubChem (CID 173360794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).