1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine

C17H23N3 — CID 63850213

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1ccnc2ccccc12
InChIInChI=1S/C17H23N3/c1-2-20-11-5-6-15(20)13-18-12-14-9-10-19-17-8-4-3-7-16(14)17/h3-4,7-10,15,18H,2,5-6,11-13H2,1H3
InChIKeyDFROGAGODYYXRJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.81
Rot. Bonds5

About 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine

1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine (PubChem CID 63850213) 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-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
PubChem CID63850213
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1ccnc2ccccc12
InChIInChI=1S/C17H23N3/c1-2-20-11-5-6-15(20)13-18-12-14-9-10-19-17-8-4-3-7-16(14)17/h3-4,7-10,15,18H,2,5-6,11-13H2,1H3
InChIKeyDFROGAGODYYXRJ-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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Related Compounds

1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628251
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 43195840
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
CID 43183351
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride
CID 17215973
1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 62999542
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 124830690
1-(1-ethylpyrrolidin-2-yl)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;dihydrochloride
CID 172886980

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine (CID 63850213) is 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine is CCN1CCCC1CNCc1ccnc2ccccc12.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine?
The InChIKey is DFROGAGODYYXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-20-11-5-6-15(20)13-18-12-14-9-10-19-17-8-4-3-7-16(14)17/h3-4,7-10,15,18H,2,5-6,11-13H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-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-4-ylmethyl)methanamine is sourced from PubChem (CID 63850213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).