2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine

C18H40N2O3Si — CID 175322546

IUPAC2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine
SMILESCCCOC1(C(N)(CC)CN)CCCC[Si]1(OCCC)OCCC
InChIInChI=1S/C18H40N2O3Si/c1-5-12-21-18(17(20,8-4)16-19)11-9-10-15-24(18,22-13-6-2)23-14-7-3/h5-16,19-20H2,1-4H3
InChIKeyVFZJJVXNGPQUOD-UHFFFAOYSA-N
MW360.62 g/mol
LogP3.24
Rot. Bonds12

About 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine

2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine (PubChem CID 175322546) has the molecular formula C18H40N2O3Si and a molecular weight of 360.62 g/mol. Its IUPAC name is 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine
PubChem CID175322546
Molecular FormulaC18H40N2O3Si
Molecular Weight360.62 g/mol
Exact Mass360.28
IUPAC Name2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine
SMILESCCCOC1(C(N)(CC)CN)CCCC[Si]1(OCCC)OCCC
InChIInChI=1S/C18H40N2O3Si/c1-5-12-21-18(17(20,8-4)16-19)11-9-10-15-24(18,22-13-6-2)23-14-7-3/h5-16,19-20H2,1-4H3
InChIKeyVFZJJVXNGPQUOD-UHFFFAOYSA-N
XLogP3.24
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-prop-2-enyl-1,1-dipropoxysilinane
CID 174467925
1-propoxycyclohexan-1-ol
CID 54523589
1,1-dipropoxycyclodecane
CID 89439642
1,1,2,2-tetraethoxysilinane
CID 174248265
2-cyclopropyl-1,1,2-triethoxysilinane
CID 174341764
2-methyl-1-propoxycyclohexane-1-carbaldehyde
CID 165494983
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
3-(1-methylcyclopropyl)pentan-3-amine
CID 163667821
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
diethoxy(methyl)silane;1,1,2,2-tetramethoxysilinane
CID 174509145

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine?
The IUPAC name of 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine (CID 175322546) is 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine is CCCOC1(C(N)(CC)CN)CCCC[Si]1(OCCC)OCCC.
What is the InChIKey of 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine?
The InChIKey is VFZJJVXNGPQUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O3Si/c1-5-12-21-18(17(20,8-4)16-19)11-9-10-15-24(18,22-13-6-2)23-14-7-3/h5-16,19-20H2,1-4H3.
What are the key properties of 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine?
2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine has a molecular weight of 360.62 g/mol, XLogP of 3.24, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-tripropoxysilinan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 175322546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).