1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine

C17H20N2 — CID 115797702

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCNC(c1cnc2ccccc2c1)C1C2CCCC21
InChIInChI=1S/C17H20N2/c1-18-17(16-13-6-4-7-14(13)16)12-9-11-5-2-3-8-15(11)19-10-12/h2-3,5,8-10,13-14,16-18H,4,6-7H2,1H3
InChIKeySLSTTYBYZQEECU-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.54
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine

1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine (PubChem CID 115797702) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine
PubChem CID115797702
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCNC(c1cnc2ccccc2c1)C1C2CCCC21
InChIInChI=1S/C17H20N2/c1-18-17(16-13-6-4-7-14(13)16)12-9-11-5-2-3-8-15(11)19-10-12/h2-3,5,8-10,13-14,16-18H,4,6-7H2,1H3
InChIKeySLSTTYBYZQEECU-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine (CID 115797702) is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine is CNC(c1cnc2ccccc2c1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine?
The InChIKey is SLSTTYBYZQEECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-18-17(16-13-6-4-7-14(13)16)12-9-11-5-2-3-8-15(11)19-10-12/h2-3,5,8-10,13-14,16-18H,4,6-7H2,1H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine is sourced from PubChem (CID 115797702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).