1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine

C16H21N3 — CID 79458949

IUPAC1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine
SMILESCc1ccc(NC2CCCC(N)C2)c2cccnc12
InChIInChI=1S/C16H21N3/c1-11-7-8-15(14-6-3-9-18-16(11)14)19-13-5-2-4-12(17)10-13/h3,6-9,12-13,19H,2,4-5,10,17H2,1H3
InChIKeyCACKBSXDBICBSV-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.23
Rot. Bonds2

About 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine

1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine (PubChem CID 79458949) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine
PubChem CID79458949
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine
SMILESCc1ccc(NC2CCCC(N)C2)c2cccnc12
InChIInChI=1S/C16H21N3/c1-11-7-8-15(14-6-3-9-18-16(11)14)19-13-5-2-4-12(17)10-13/h3,6-9,12-13,19H,2,4-5,10,17H2,1H3
InChIKeyCACKBSXDBICBSV-UHFFFAOYSA-N
XLogP3.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine (CID 79458949) is 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine is Cc1ccc(NC2CCCC(N)C2)c2cccnc12.
What is the InChIKey of 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine?
The InChIKey is CACKBSXDBICBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-7-8-15(14-6-3-9-18-16(11)14)19-13-5-2-4-12(17)10-13/h3,6-9,12-13,19H,2,4-5,10,17H2,1H3.
What are the key properties of 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine?
1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).