1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine

C14H26N2O3Si — CID 66659087

IUPAC1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine
SMILESCCNC(N)C(Cc1ccccc1)[Si](OC)(OC)OC
InChIInChI=1S/C14H26N2O3Si/c1-5-16-14(15)13(20(17-2,18-3)19-4)11-12-9-7-6-8-10-12/h6-10,13-14,16H,5,11,15H2,1-4H3
InChIKeyLSCSFPYPJGZFSW-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.37
Rot. Bonds9

About 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine

1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine (PubChem CID 66659087) has the molecular formula C14H26N2O3Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine
PubChem CID66659087
Molecular FormulaC14H26N2O3Si
Molecular Weight298.46 g/mol
Exact Mass298.17
IUPAC Name1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine
SMILESCCNC(N)C(Cc1ccccc1)[Si](OC)(OC)OC
InChIInChI=1S/C14H26N2O3Si/c1-5-16-14(15)13(20(17-2,18-3)19-4)11-12-9-7-6-8-10-12/h6-10,13-14,16H,5,11,15H2,1-4H3
InChIKeyLSCSFPYPJGZFSW-UHFFFAOYSA-N
XLogP1.37
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine
CID 99738332
2-(ethylamino)-3-phenylpropanal
CID 3325220
N-ethyl-1-(2-methoxyphenyl)-3-phenylpropan-2-amine
CID 61263100
(1-methoxy-2-phenylethyl)-trimethylstannane
CID 121014115
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
ethanol;methyl 2-amino-3-phenylpropanoate;hydrochloride
CID 174956794
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
N-ethyl-2,4-dimethyl-1-phenylpentan-3-amine
CID 79299268
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
azane;1-phenylpropan-2-amine
CID 67350534

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine?
The IUPAC name of 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine (CID 66659087) is 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine is CCNC(N)C(Cc1ccccc1)[Si](OC)(OC)OC.
What is the InChIKey of 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine?
The InChIKey is LSCSFPYPJGZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3Si/c1-5-16-14(15)13(20(17-2,18-3)19-4)11-12-9-7-6-8-10-12/h6-10,13-14,16H,5,11,15H2,1-4H3.
What are the key properties of 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine?
1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine has a molecular weight of 298.46 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-3-phenyl-2-trimethoxysilylpropane-1,1-diamine is sourced from PubChem (CID 66659087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).