N-methyl-3-propan-2-yl-8-propylquinolin-2-amine

C16H22N2 — CID 63524556

IUPACN-methyl-3-propan-2-yl-8-propylquinolin-2-amine
SMILESCCCc1cccc2cc(C(C)C)c(NC)nc12
InChIInChI=1S/C16H22N2/c1-5-7-12-8-6-9-13-10-14(11(2)3)16(17-4)18-15(12)13/h6,8-11H,5,7H2,1-4H3,(H,17,18)
InChIKeyUAWMDXHSUPFEEU-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.35
Rot. Bonds4

About N-methyl-3-propan-2-yl-8-propylquinolin-2-amine

N-methyl-3-propan-2-yl-8-propylquinolin-2-amine (PubChem CID 63524556) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-8-propylquinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-yl-8-propylquinolin-2-amine
PubChem CID63524556
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-3-propan-2-yl-8-propylquinolin-2-amine
SMILESCCCc1cccc2cc(C(C)C)c(NC)nc12
InChIInChI=1S/C16H22N2/c1-5-7-12-8-6-9-13-10-14(11(2)3)16(17-4)18-15(12)13/h6,8-11H,5,7H2,1-4H3,(H,17,18)
InChIKeyUAWMDXHSUPFEEU-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-8-propylquinolin-2-amine?
The IUPAC name of N-methyl-3-propan-2-yl-8-propylquinolin-2-amine (CID 63524556) is N-methyl-3-propan-2-yl-8-propylquinolin-2-amine.
What is the SMILES notation for N-methyl-3-propan-2-yl-8-propylquinolin-2-amine?
The canonical SMILES for N-methyl-3-propan-2-yl-8-propylquinolin-2-amine is CCCc1cccc2cc(C(C)C)c(NC)nc12.
What is the InChIKey of N-methyl-3-propan-2-yl-8-propylquinolin-2-amine?
The InChIKey is UAWMDXHSUPFEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-7-12-8-6-9-13-10-14(11(2)3)16(17-4)18-15(12)13/h6,8-11H,5,7H2,1-4H3,(H,17,18).
What are the key properties of N-methyl-3-propan-2-yl-8-propylquinolin-2-amine?
N-methyl-3-propan-2-yl-8-propylquinolin-2-amine has a molecular weight of 242.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yl-8-propylquinolin-2-amine is sourced from PubChem (CID 63524556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).