1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine

C12H30N2O5Si2 — CID 174976255

IUPAC1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine
SMILESCCC(NC(C)N)C1CC[Si](OC)(OC)[Si](OC)(OC)O1
InChIInChI=1S/C12H30N2O5Si2/c1-7-11(14-10(2)13)12-8-9-20(15-3,16-4)21(17-5,18-6)19-12/h10-12,14H,7-9,13H2,1-6H3
InChIKeyRGODOLGKVFUWQO-UHFFFAOYSA-N
MW338.55 g/mol
LogP0.49
Rot. Bonds8

About 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine

1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine (PubChem CID 174976255) has the molecular formula C12H30N2O5Si2 and a molecular weight of 338.55 g/mol. Its IUPAC name is 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine
PubChem CID174976255
Molecular FormulaC12H30N2O5Si2
Molecular Weight338.55 g/mol
Exact Mass338.17
IUPAC Name1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine
SMILESCCC(NC(C)N)C1CC[Si](OC)(OC)[Si](OC)(OC)O1
InChIInChI=1S/C12H30N2O5Si2/c1-7-11(14-10(2)13)12-8-9-20(15-3,16-4)21(17-5,18-6)19-12/h10-12,14H,7-9,13H2,1-6H3
InChIKeyRGODOLGKVFUWQO-UHFFFAOYSA-N
XLogP0.49
TPSA84.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine
CID 66958834
1-(2,2-dimethoxyoxasilinan-6-yl)propan-1-amine
CID 175135496
CID 19960740
CID 19960740
methyl (2S)-2-(1-cyclopropylpropylamino)propanoate
CID 64920130
1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896555
N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine
CID 115724125
methyl (2S)-2-[(2R,5S)-5-[(2S)-1-hydroxypropan-2-yl]oxolan-2-yl]butanoate
CID 10014078
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
2-(1-cyclopropylpropylamino)-3-methoxypropanamide
CID 115929773
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
1-(2,2-dimethyloxasilinan-6-yl)propane-1-thiol
CID 88829184
(3R)-3-(1-cyclopropylpropylamino)butan-1-ol
CID 103871687

Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine (CID 174976255) is 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine is CCC(NC(C)N)C1CC[Si](OC)(OC)[Si](OC)(OC)O1.
What is the InChIKey of 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine?
The InChIKey is RGODOLGKVFUWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O5Si2/c1-7-11(14-10(2)13)12-8-9-20(15-3,16-4)21(17-5,18-6)19-12/h10-12,14H,7-9,13H2,1-6H3.
What are the key properties of 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine?
1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine has a molecular weight of 338.55 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(2,2,3,3-tetramethoxyoxadisilinan-6-yl)propyl]ethane-1,1-diamine is sourced from PubChem (CID 174976255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).