N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine

C24H40N2OSi — CID 59176590

IUPACN-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)[Si](OCCCC#CN(C)C1CCCc2cccnc21)(C(C)C)C(C)C
InChIInChI=1S/C24H40N2OSi/c1-19(2)28(20(3)4,21(5)6)27-18-10-8-9-17-26(7)23-15-11-13-22-14-12-16-25-24(22)23/h12,14,16,19-21,23H,8,10-11,13,15,18H2,1-7H3
InChIKeyBXFIQUATCJRJFX-UHFFFAOYSA-N
MW400.68 g/mol
LogP6.32
Rot. Bonds8

About N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 59176590) has the molecular formula C24H40N2OSi and a molecular weight of 400.68 g/mol. Its IUPAC name is N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID59176590
Molecular FormulaC24H40N2OSi
Molecular Weight400.68 g/mol
Exact Mass400.29
IUPAC NameN-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)[Si](OCCCC#CN(C)C1CCCc2cccnc21)(C(C)C)C(C)C
InChIInChI=1S/C24H40N2OSi/c1-19(2)28(20(3)4,21(5)6)27-18-10-8-9-17-26(7)23-15-11-13-22-14-12-16-25-24(22)23/h12,14,16,19-21,23H,8,10-11,13,15,18H2,1-7H3
InChIKeyBXFIQUATCJRJFX-UHFFFAOYSA-N
XLogP6.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 59176590) is N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine is CC(C)[Si](OCCCC#CN(C)C1CCCc2cccnc21)(C(C)C)C(C)C.
What is the InChIKey of N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is BXFIQUATCJRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2OSi/c1-19(2)28(20(3)4,21(5)6)27-18-10-8-9-17-26(7)23-15-11-13-22-14-12-16-25-24(22)23/h12,14,16,19-21,23H,8,10-11,13,15,18H2,1-7H3.
What are the key properties of N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 400.68 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-tri(propan-2-yl)silyloxypent-1-ynyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 59176590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).