N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine

C16H21N3 — CID 134712707

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine
SMILESCN1CCC(C)(CNc2ccnc3ccccc23)C1
InChIInChI=1S/C16H21N3/c1-16(8-10-19(2)12-16)11-18-15-7-9-17-14-6-4-3-5-13(14)15/h3-7,9H,8,10-12H2,1-2H3,(H,17,18)
InChIKeyGWJUALOTJABSKQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.99
Rot. Bonds3

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine (PubChem CID 134712707) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine
PubChem CID134712707
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine
SMILESCN1CCC(C)(CNc2ccnc3ccccc23)C1
InChIInChI=1S/C16H21N3/c1-16(8-10-19(2)12-16)11-18-15-7-9-17-14-6-4-3-5-13(14)15/h3-7,9H,8,10-12H2,1-2H3,(H,17,18)
InChIKeyGWJUALOTJABSKQ-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine (CID 134712707) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine is CN1CCC(C)(CNc2ccnc3ccccc23)C1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine?
The InChIKey is GWJUALOTJABSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(8-10-19(2)12-16)11-18-15-7-9-17-14-6-4-3-5-13(14)15/h3-7,9H,8,10-12H2,1-2H3,(H,17,18).
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 134712707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).