1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine

C17H23N3 — CID 43183351

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1ccc2ncccc2c1
InChIInChI=1S/C17H23N3/c1-2-20-10-4-6-16(20)13-18-12-14-7-8-17-15(11-14)5-3-9-19-17/h3,5,7-9,11,16,18H,2,4,6,10,12-13H2,1H3
InChIKeyPVNOGAIIHVNLIN-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.81
Rot. Bonds5

About 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine

1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine (PubChem CID 43183351) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
PubChem CID43183351
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1ccc2ncccc2c1
InChIInChI=1S/C17H23N3/c1-2-20-10-4-6-16(20)13-18-12-14-7-8-17-15(11-14)5-3-9-19-17/h3,5,7-9,11,16,18H,2,4,6,10,12-13H2,1H3
InChIKeyPVNOGAIIHVNLIN-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine (CID 43183351) is 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine is CCN1CCCC1CNCc1ccc2ncccc2c1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine?
The InChIKey is PVNOGAIIHVNLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-20-10-4-6-16(20)13-18-12-14-7-8-17-15(11-14)5-3-9-19-17/h3,5,7-9,11,16,18H,2,4,6,10,12-13H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine is sourced from PubChem (CID 43183351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).