1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane

C12H30N2O3Si — CID 173450427

IUPAC1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane
SMILESCCC(N)NC1CC1.CCO[SiH](OCC)OCC
InChIInChI=1S/C6H14N2.C6H16O3Si/c1-2-6(7)8-5-3-4-5;1-4-7-10(8-5-2)9-6-3/h5-6,8H,2-4,7H2,1H3;10H,4-6H2,1-3H3
InChIKeyDUEHNOGRNDAJOQ-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.25
Rot. Bonds9

About 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane

1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane (PubChem CID 173450427) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane.

Molecular Properties

Compound Name1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane
PubChem CID173450427
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC Name1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane
SMILESCCC(N)NC1CC1.CCO[SiH](OCC)OCC
InChIInChI=1S/C6H14N2.C6H16O3Si/c1-2-6(7)8-5-3-4-5;1-4-7-10(8-5-2)9-6-3/h5-6,8H,2-4,7H2,1H3;10H,4-6H2,1-3H3
InChIKeyDUEHNOGRNDAJOQ-UHFFFAOYSA-N
XLogP1.25
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.25
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

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CID 173187116
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CID 175110437
N-ethylethanamine;triethoxysilane
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2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
1-N'-cycloheptylheptane-1,1-diamine
CID 135361664
N-hexan-3-ylcyclopropanamine
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Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane?
The IUPAC name of 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane (CID 173450427) is 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane.
What is the SMILES notation for 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane?
The canonical SMILES for 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane is CCC(N)NC1CC1.CCO[SiH](OCC)OCC.
What is the InChIKey of 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane?
The InChIKey is DUEHNOGRNDAJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H16O3Si/c1-2-6(7)8-5-3-4-5;1-4-7-10(8-5-2)9-6-3/h5-6,8H,2-4,7H2,1H3;10H,4-6H2,1-3H3.
What are the key properties of 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane?
1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane has a molecular weight of 278.47 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopropylpropane-1,1-diamine;triethoxysilane is sourced from PubChem (CID 173450427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).