4-(3-methylquinolin-6-yl)cyclohexan-1-amine

C16H20N2 — CID 116997794

IUPAC4-(3-methylquinolin-6-yl)cyclohexan-1-amine
SMILESCc1cnc2ccc(C3CCC(N)CC3)cc2c1
InChIInChI=1S/C16H20N2/c1-11-8-14-9-13(4-7-16(14)18-10-11)12-2-5-15(17)6-3-12/h4,7-10,12,15H,2-3,5-6,17H2,1H3
InChIKeyHYZMQRSQJBMUCA-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.53
Rot. Bonds1

About 4-(3-methylquinolin-6-yl)cyclohexan-1-amine

4-(3-methylquinolin-6-yl)cyclohexan-1-amine (PubChem CID 116997794) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(3-methylquinolin-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methylquinolin-6-yl)cyclohexan-1-amine
PubChem CID116997794
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(3-methylquinolin-6-yl)cyclohexan-1-amine
SMILESCc1cnc2ccc(C3CCC(N)CC3)cc2c1
InChIInChI=1S/C16H20N2/c1-11-8-14-9-13(4-7-16(14)18-10-11)12-2-5-15(17)6-3-12/h4,7-10,12,15H,2-3,5-6,17H2,1H3
InChIKeyHYZMQRSQJBMUCA-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylquinolin-6-yl)cyclohexan-1-amine?
The IUPAC name of 4-(3-methylquinolin-6-yl)cyclohexan-1-amine (CID 116997794) is 4-(3-methylquinolin-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methylquinolin-6-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-methylquinolin-6-yl)cyclohexan-1-amine is Cc1cnc2ccc(C3CCC(N)CC3)cc2c1.
What is the InChIKey of 4-(3-methylquinolin-6-yl)cyclohexan-1-amine?
The InChIKey is HYZMQRSQJBMUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-8-14-9-13(4-7-16(14)18-10-11)12-2-5-15(17)6-3-12/h4,7-10,12,15H,2-3,5-6,17H2,1H3.
What are the key properties of 4-(3-methylquinolin-6-yl)cyclohexan-1-amine?
4-(3-methylquinolin-6-yl)cyclohexan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylquinolin-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 116997794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).