N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine

C31H68N2O4Si2 — CID 68954702

IUPACN-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine
SMILESCCCCN[Si](OCCC)(OCCC)C1CCCC1.CCCCN[Si](OCCC)(OCCC)C1CCCCC1
InChIInChI=1S/C16H35NO2Si.C15H33NO2Si/c1-4-7-13-17-20(18-14-5-2,19-15-6-3)16-11-9-8-10-12-16;1-4-7-12-16-19(17-13-5-2,18-14-6-3)15-10-8-9-11-15/h16-17H,4-15H2,1-3H3;15-16H,4-14H2,1-3H3
InChIKeyKNYDXFDXVWQZQH-UHFFFAOYSA-N
MW589.07 g/mol
LogP8.61
Rot. Bonds22

About N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine

N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine (PubChem CID 68954702) has the molecular formula C31H68N2O4Si2 and a molecular weight of 589.07 g/mol. Its IUPAC name is N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine
PubChem CID68954702
Molecular FormulaC31H68N2O4Si2
Molecular Weight589.07 g/mol
Exact Mass588.47
IUPAC NameN-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine
SMILESCCCCN[Si](OCCC)(OCCC)C1CCCC1.CCCCN[Si](OCCC)(OCCC)C1CCCCC1
InChIInChI=1S/C16H35NO2Si.C15H33NO2Si/c1-4-7-13-17-20(18-14-5-2,19-15-6-3)16-11-9-8-10-12-16;1-4-7-12-16-19(17-13-5-2,18-14-6-3)15-10-8-9-11-15/h16-17H,4-15H2,1-3H3;15-16H,4-14H2,1-3H3
InChIKeyKNYDXFDXVWQZQH-UHFFFAOYSA-N
XLogP8.61
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.07
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine?
The IUPAC name of N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine (CID 68954702) is N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine.
What is the SMILES notation for N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine?
The canonical SMILES for N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine is CCCCN[Si](OCCC)(OCCC)C1CCCC1.CCCCN[Si](OCCC)(OCCC)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine?
The InChIKey is KNYDXFDXVWQZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2Si.C15H33NO2Si/c1-4-7-13-17-20(18-14-5-2,19-15-6-3)16-11-9-8-10-12-16;1-4-7-12-16-19(17-13-5-2,18-14-6-3)15-10-8-9-11-15/h16-17H,4-15H2,1-3H3;15-16H,4-14H2,1-3H3.
What are the key properties of N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine?
N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine has a molecular weight of 589.07 g/mol, XLogP of 8.61, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(dipropoxy)silyl]butan-1-amine;N-[cyclopentyl(dipropoxy)silyl]butan-1-amine is sourced from PubChem (CID 68954702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).