1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine

C17H31N3O3Si — CID 174940753

IUPAC1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine
SMILESCCCC1(OC)C(N)(N)C(N)(c2ccccc2)CC[Si]1(OC)OC
InChIInChI=1S/C17H31N3O3Si/c1-5-11-16(21-2)17(19,20)15(18,14-9-7-6-8-10-14)12-13-24(16,22-3)23-4/h6-10H,5,11-13,18-20H2,1-4H3
InChIKeyLJZKFACFISNFSR-UHFFFAOYSA-N
MW353.54 g/mol
LogP1.32
Rot. Bonds6

About 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine

1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine (PubChem CID 174940753) has the molecular formula C17H31N3O3Si and a molecular weight of 353.54 g/mol. Its IUPAC name is 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine.

Molecular Properties

Compound Name1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine
PubChem CID174940753
Molecular FormulaC17H31N3O3Si
Molecular Weight353.54 g/mol
Exact Mass353.21
IUPAC Name1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine
SMILESCCCC1(OC)C(N)(N)C(N)(c2ccccc2)CC[Si]1(OC)OC
InChIInChI=1S/C17H31N3O3Si/c1-5-11-16(21-2)17(19,20)15(18,14-9-7-6-8-10-14)12-13-24(16,22-3)23-4/h6-10H,5,11-13,18-20H2,1-4H3
InChIKeyLJZKFACFISNFSR-UHFFFAOYSA-N
XLogP1.32
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine 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

1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
CID 174681212
1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine
CID 174731945
3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
CID 174805272
3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine
CID 174427736
1-(1,1,2-trimethoxy-3-methyl-2-propylsilinan-3-yl)prop-2-en-1-one
CID 174647401
3,3-dimethylbutan-2-ylbenzene;1-propylcyclopropan-1-amine
CID 144662822
(2R)-2-phenylspiro[2.5]octan-2-amine
CID 131887736
1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine
CID 19382194
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine
CID 174973430
1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane
CID 174601366
N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine
CID 174750677

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine?
The IUPAC name of 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine (CID 174940753) is 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine.
What is the SMILES notation for 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine?
The canonical SMILES for 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine is CCCC1(OC)C(N)(N)C(N)(c2ccccc2)CC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine?
The InChIKey is LJZKFACFISNFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3Si/c1-5-11-16(21-2)17(19,20)15(18,14-9-7-6-8-10-14)12-13-24(16,22-3)23-4/h6-10H,5,11-13,18-20H2,1-4H3.
What are the key properties of 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine?
1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine has a molecular weight of 353.54 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine is sourced from PubChem (CID 174940753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).