[2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine

C16H21N3 — CID 79182765

IUPAC[2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine
SMILESCC1CN(c2cc(CN)c3ccccc3n2)CC1C
InChIInChI=1S/C16H21N3/c1-11-9-19(10-12(11)2)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10,17H2,1-2H3
InChIKeyKKKCYDPFOOZTOD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.79
Rot. Bonds2

About [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine

[2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine (PubChem CID 79182765) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine
PubChem CID79182765
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name[2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine
SMILESCC1CN(c2cc(CN)c3ccccc3n2)CC1C
InChIInChI=1S/C16H21N3/c1-11-9-19(10-12(11)2)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10,17H2,1-2H3
InChIKeyKKKCYDPFOOZTOD-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine?
The IUPAC name of [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine (CID 79182765) is [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine is CC1CN(c2cc(CN)c3ccccc3n2)CC1C.
What is the InChIKey of [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine?
The InChIKey is KKKCYDPFOOZTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-9-19(10-12(11)2)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10,17H2,1-2H3.
What are the key properties of [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine?
[2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine is sourced from PubChem (CID 79182765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).