1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine

C18H25N3 — CID 115309552

IUPAC1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine
SMILESCc1cc2ccccc2nc1NC(CN)C1CCCCC1
InChIInChI=1S/C18H25N3/c1-13-11-15-9-5-6-10-16(15)20-18(13)21-17(12-19)14-7-3-2-4-8-14/h5-6,9-11,14,17H,2-4,7-8,12,19H2,1H3,(H,20,21)
InChIKeyXZIJMDKNBBGRFJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.86
Rot. Bonds4

About 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine

1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine (PubChem CID 115309552) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine
PubChem CID115309552
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine
SMILESCc1cc2ccccc2nc1NC(CN)C1CCCCC1
InChIInChI=1S/C18H25N3/c1-13-11-15-9-5-6-10-16(15)20-18(13)21-17(12-19)14-7-3-2-4-8-14/h5-6,9-11,14,17H,2-4,7-8,12,19H2,1H3,(H,20,21)
InChIKeyXZIJMDKNBBGRFJ-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine (CID 115309552) is 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine is Cc1cc2ccccc2nc1NC(CN)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine?
The InChIKey is XZIJMDKNBBGRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-11-15-9-5-6-10-16(15)20-18(13)21-17(12-19)14-7-3-2-4-8-14/h5-6,9-11,14,17H,2-4,7-8,12,19H2,1H3,(H,20,21).
What are the key properties of 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine?
1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115309552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).