8-(3-cyclohexylpropoxy)quinolin-2-amine

C18H24N2O — CID 70039027

IUPAC8-(3-cyclohexylpropoxy)quinolin-2-amine
SMILESNc1ccc2cccc(OCCCC3CCCCC3)c2n1
InChIInChI=1S/C18H24N2O/c19-17-12-11-15-9-4-10-16(18(15)20-17)21-13-5-8-14-6-2-1-3-7-14/h4,9-12,14H,1-3,5-8,13H2,(H2,19,20)
InChIKeyLXPODDOHYYZBLR-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.56
Rot. Bonds5

About 8-(3-cyclohexylpropoxy)quinolin-2-amine

8-(3-cyclohexylpropoxy)quinolin-2-amine (PubChem CID 70039027) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 8-(3-cyclohexylpropoxy)quinolin-2-amine.

Molecular Properties

Compound Name8-(3-cyclohexylpropoxy)quinolin-2-amine
PubChem CID70039027
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name8-(3-cyclohexylpropoxy)quinolin-2-amine
SMILESNc1ccc2cccc(OCCCC3CCCCC3)c2n1
InChIInChI=1S/C18H24N2O/c19-17-12-11-15-9-4-10-16(18(15)20-17)21-13-5-8-14-6-2-1-3-7-14/h4,9-12,14H,1-3,5-8,13H2,(H2,19,20)
InChIKeyLXPODDOHYYZBLR-UHFFFAOYSA-N
XLogP4.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclohexylpropoxy)quinolin-2-amine?
The IUPAC name of 8-(3-cyclohexylpropoxy)quinolin-2-amine (CID 70039027) is 8-(3-cyclohexylpropoxy)quinolin-2-amine.
What is the SMILES notation for 8-(3-cyclohexylpropoxy)quinolin-2-amine?
The canonical SMILES for 8-(3-cyclohexylpropoxy)quinolin-2-amine is Nc1ccc2cccc(OCCCC3CCCCC3)c2n1.
What is the InChIKey of 8-(3-cyclohexylpropoxy)quinolin-2-amine?
The InChIKey is LXPODDOHYYZBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-17-12-11-15-9-4-10-16(18(15)20-17)21-13-5-8-14-6-2-1-3-7-14/h4,9-12,14H,1-3,5-8,13H2,(H2,19,20).
What are the key properties of 8-(3-cyclohexylpropoxy)quinolin-2-amine?
8-(3-cyclohexylpropoxy)quinolin-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclohexylpropoxy)quinolin-2-amine is sourced from PubChem (CID 70039027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).