2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride

C17H22Cl2N2O — CID 87121205

IUPAC2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride
SMILESCl.Cl.O=CC(NC1CCCCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H20N2O.2ClH/c20-12-17(19-15-7-2-1-3-8-15)14-10-13-6-4-5-9-16(13)18-11-14;;/h4-6,9-12,15,17,19H,1-3,7-8H2;2*1H
InChIKeyZUVRLDXZGJEWPY-UHFFFAOYSA-N
MW341.28 g/mol
LogP4.24
Rot. Bonds4

About 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride

2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride (PubChem CID 87121205) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride
PubChem CID87121205
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride
SMILESCl.Cl.O=CC(NC1CCCCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H20N2O.2ClH/c20-12-17(19-15-7-2-1-3-8-15)14-10-13-6-4-5-9-16(13)18-11-14;;/h4-6,9-12,15,17,19H,1-3,7-8H2;2*1H
InChIKeyZUVRLDXZGJEWPY-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride?
The IUPAC name of 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride (CID 87121205) is 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride.
What is the SMILES notation for 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride?
The canonical SMILES for 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride is Cl.Cl.O=CC(NC1CCCCC1)c1cnc2ccccc2c1.
What is the InChIKey of 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride?
The InChIKey is ZUVRLDXZGJEWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.2ClH/c20-12-17(19-15-7-2-1-3-8-15)14-10-13-6-4-5-9-16(13)18-11-14;;/h4-6,9-12,15,17,19H,1-3,7-8H2;2*1H.
What are the key properties of 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride?
2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride has a molecular weight of 341.28 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride is sourced from PubChem (CID 87121205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).