1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine

C18H24N2O — CID 64549371

IUPAC1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine
SMILESCc1cc(OCC2(N)CCCCCC2)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-14-12-17(15-8-4-5-9-16(15)20-14)21-13-18(19)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11,13,19H2,1H3
InChIKeyXSYNECNVHWUESE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.97
Rot. Bonds3

About 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine

1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine (PubChem CID 64549371) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine
PubChem CID64549371
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine
SMILESCc1cc(OCC2(N)CCCCCC2)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-14-12-17(15-8-4-5-9-16(15)20-14)21-13-18(19)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11,13,19H2,1H3
InChIKeyXSYNECNVHWUESE-UHFFFAOYSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine (CID 64549371) is 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine is Cc1cc(OCC2(N)CCCCCC2)c2ccccc2n1.
What is the InChIKey of 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine?
The InChIKey is XSYNECNVHWUESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-12-17(15-8-4-5-9-16(15)20-14)21-13-18(19)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11,13,19H2,1H3.
What are the key properties of 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine?
1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 64549371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).