N-(3-methoxycyclohexyl)quinolin-5-amine

C16H20N2O — CID 106871532

IUPACN-(3-methoxycyclohexyl)quinolin-5-amine
SMILESCOC1CCCC(Nc2cccc3ncccc23)C1
InChIInChI=1S/C16H20N2O/c1-19-13-6-2-5-12(11-13)18-16-9-3-8-15-14(16)7-4-10-17-15/h3-4,7-10,12-13,18H,2,5-6,11H2,1H3
InChIKeyIRVRCIIMZHIUAF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.60
Rot. Bonds3

About N-(3-methoxycyclohexyl)quinolin-5-amine

N-(3-methoxycyclohexyl)quinolin-5-amine (PubChem CID 106871532) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)quinolin-5-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)quinolin-5-amine
PubChem CID106871532
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(3-methoxycyclohexyl)quinolin-5-amine
SMILESCOC1CCCC(Nc2cccc3ncccc23)C1
InChIInChI=1S/C16H20N2O/c1-19-13-6-2-5-12(11-13)18-16-9-3-8-15-14(16)7-4-10-17-15/h3-4,7-10,12-13,18H,2,5-6,11H2,1H3
InChIKeyIRVRCIIMZHIUAF-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)quinolin-5-amine?
The IUPAC name of N-(3-methoxycyclohexyl)quinolin-5-amine (CID 106871532) is N-(3-methoxycyclohexyl)quinolin-5-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)quinolin-5-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)quinolin-5-amine is COC1CCCC(Nc2cccc3ncccc23)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)quinolin-5-amine?
The InChIKey is IRVRCIIMZHIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-13-6-2-5-12(11-13)18-16-9-3-8-15-14(16)7-4-10-17-15/h3-4,7-10,12-13,18H,2,5-6,11H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)quinolin-5-amine?
N-(3-methoxycyclohexyl)quinolin-5-amine has a molecular weight of 256.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)quinolin-5-amine is sourced from PubChem (CID 106871532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).