2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine

C16H23N3 — CID 115485727

IUPAC2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine
SMILESCCCN(Cc1cc(N)c2ccccc2n1)C(C)C
InChIInChI=1S/C16H23N3/c1-4-9-19(12(2)3)11-13-10-15(17)14-7-5-6-8-16(14)18-13/h5-8,10,12H,4,9,11H2,1-3H3,(H2,17,18)
InChIKeyVYCYKAQGWRETKN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.44
Rot. Bonds5

About 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine

2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine (PubChem CID 115485727) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine
PubChem CID115485727
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine
SMILESCCCN(Cc1cc(N)c2ccccc2n1)C(C)C
InChIInChI=1S/C16H23N3/c1-4-9-19(12(2)3)11-13-10-15(17)14-7-5-6-8-16(14)18-13/h5-8,10,12H,4,9,11H2,1-3H3,(H2,17,18)
InChIKeyVYCYKAQGWRETKN-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine (CID 115485727) is 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine is CCCN(Cc1cc(N)c2ccccc2n1)C(C)C.
What is the InChIKey of 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine?
The InChIKey is VYCYKAQGWRETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-9-19(12(2)3)11-13-10-15(17)14-7-5-6-8-16(14)18-13/h5-8,10,12H,4,9,11H2,1-3H3,(H2,17,18).
What are the key properties of 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine?
2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 115485727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).