1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine

C20H36N2O3Si — CID 174731945

IUPAC1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine
SMILESCCCC1(OC)C(Cc2ccccc2)(NC(C)N)CCC[Si]1(OC)OC
InChIInChI=1S/C20H36N2O3Si/c1-6-13-20(23-3)19(22-17(2)21,16-18-11-8-7-9-12-18)14-10-15-26(20,24-4)25-5/h7-9,11-12,17,22H,6,10,13-16,21H2,1-5H3
InChIKeyKXOCZUPVMMGGIM-UHFFFAOYSA-N
MW380.61 g/mol
LogP3.12
Rot. Bonds9

About 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine

1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine (PubChem CID 174731945) has the molecular formula C20H36N2O3Si and a molecular weight of 380.61 g/mol. Its IUPAC name is 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine
PubChem CID174731945
Molecular FormulaC20H36N2O3Si
Molecular Weight380.61 g/mol
Exact Mass380.25
IUPAC Name1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine
SMILESCCCC1(OC)C(Cc2ccccc2)(NC(C)N)CCC[Si]1(OC)OC
InChIInChI=1S/C20H36N2O3Si/c1-6-13-20(23-3)19(22-17(2)21,16-18-11-8-7-9-12-18)14-10-15-26(20,24-4)25-5/h7-9,11-12,17,22H,6,10,13-16,21H2,1-5H3
InChIKeyKXOCZUPVMMGGIM-UHFFFAOYSA-N
XLogP3.12
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 53.12
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

1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
CID 174681212
3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine
CID 174427736
3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
CID 174805272
1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine
CID 174940753
3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine
CID 174973430
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 53299308
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride
CID 53299309
2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine
CID 134907584
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine (CID 174731945) is 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine is CCCC1(OC)C(Cc2ccccc2)(NC(C)N)CCC[Si]1(OC)OC.
What is the InChIKey of 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine?
The InChIKey is KXOCZUPVMMGGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3Si/c1-6-13-20(23-3)19(22-17(2)21,16-18-11-8-7-9-12-18)14-10-15-26(20,24-4)25-5/h7-9,11-12,17,22H,6,10,13-16,21H2,1-5H3.
What are the key properties of 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine?
1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine has a molecular weight of 380.61 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine is sourced from PubChem (CID 174731945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).