3-methyl-5-propan-2-ylquinolin-8-amine

C13H16N2 — CID 167241925

IUPAC3-methyl-5-propan-2-ylquinolin-8-amine
SMILESCc1cnc2c(N)ccc(C(C)C)c2c1
InChIInChI=1S/C13H16N2/c1-8(2)10-4-5-12(14)13-11(10)6-9(3)7-15-13/h4-8H,14H2,1-3H3
InChIKeyRNSYTBPMQHSPQJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.25
Rot. Bonds1

About 3-methyl-5-propan-2-ylquinolin-8-amine

3-methyl-5-propan-2-ylquinolin-8-amine (PubChem CID 167241925) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-methyl-5-propan-2-ylquinolin-8-amine.

Molecular Properties

Compound Name3-methyl-5-propan-2-ylquinolin-8-amine
PubChem CID167241925
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-methyl-5-propan-2-ylquinolin-8-amine
SMILESCc1cnc2c(N)ccc(C(C)C)c2c1
InChIInChI=1S/C13H16N2/c1-8(2)10-4-5-12(14)13-11(10)6-9(3)7-15-13/h4-8H,14H2,1-3H3
InChIKeyRNSYTBPMQHSPQJ-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-ylquinolin-8-amine?
The IUPAC name of 3-methyl-5-propan-2-ylquinolin-8-amine (CID 167241925) is 3-methyl-5-propan-2-ylquinolin-8-amine.
What is the SMILES notation for 3-methyl-5-propan-2-ylquinolin-8-amine?
The canonical SMILES for 3-methyl-5-propan-2-ylquinolin-8-amine is Cc1cnc2c(N)ccc(C(C)C)c2c1.
What is the InChIKey of 3-methyl-5-propan-2-ylquinolin-8-amine?
The InChIKey is RNSYTBPMQHSPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8(2)10-4-5-12(14)13-11(10)6-9(3)7-15-13/h4-8H,14H2,1-3H3.
What are the key properties of 3-methyl-5-propan-2-ylquinolin-8-amine?
3-methyl-5-propan-2-ylquinolin-8-amine has a molecular weight of 200.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-ylquinolin-8-amine is sourced from PubChem (CID 167241925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).