3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine

C16H20N2O — CID 79465009

IUPAC3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine
SMILESCc1cc2ccccc2nc1OC1CCCC(N)C1
InChIInChI=1S/C16H20N2O/c1-11-9-12-5-2-3-8-15(12)18-16(11)19-14-7-4-6-13(17)10-14/h2-3,5,8-9,13-14H,4,6-7,10,17H2,1H3
InChIKeySVCPYLCQPSCCAE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds2

About 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine

3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine (PubChem CID 79465009) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine
PubChem CID79465009
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine
SMILESCc1cc2ccccc2nc1OC1CCCC(N)C1
InChIInChI=1S/C16H20N2O/c1-11-9-12-5-2-3-8-15(12)18-16(11)19-14-7-4-6-13(17)10-14/h2-3,5,8-9,13-14H,4,6-7,10,17H2,1H3
InChIKeySVCPYLCQPSCCAE-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine?
The IUPAC name of 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine (CID 79465009) is 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine?
The canonical SMILES for 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine is Cc1cc2ccccc2nc1OC1CCCC(N)C1.
What is the InChIKey of 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine?
The InChIKey is SVCPYLCQPSCCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-9-12-5-2-3-8-15(12)18-16(11)19-14-7-4-6-13(17)10-14/h2-3,5,8-9,13-14H,4,6-7,10,17H2,1H3.
What are the key properties of 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine?
3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 79465009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).