(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine

C15H21N3 — CID 81401978

IUPAC(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCCCn1ccc(CN[C@H](C)c2ccccn2)c1
InChIInChI=1S/C15H21N3/c1-3-9-18-10-7-14(12-18)11-17-13(2)15-6-4-5-8-16-15/h4-8,10,12-13,17H,3,9,11H2,1-2H3/t13-/m1/s1
InChIKeyGWKFXJOOALGSPT-CYBMUJFWSA-N
MW243.35 g/mol
LogP3.14
Rot. Bonds6

About (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 81401978) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID81401978
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCCCn1ccc(CN[C@H](C)c2ccccn2)c1
InChIInChI=1S/C15H21N3/c1-3-9-18-10-7-14(12-18)11-17-13(2)15-6-4-5-8-16-15/h4-8,10,12-13,17H,3,9,11H2,1-2H3/t13-/m1/s1
InChIKeyGWKFXJOOALGSPT-CYBMUJFWSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
CID 66415546
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401652
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(2S)-2-phenyl-2-[(1-propylpyrrol-3-yl)methylamino]ethanol
CID 103527298

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine (CID 81401978) is (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine is CCCn1ccc(CN[C@H](C)c2ccccn2)c1.
What is the InChIKey of (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is GWKFXJOOALGSPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-9-18-10-7-14(12-18)11-17-13(2)15-6-4-5-8-16-15/h4-8,10,12-13,17H,3,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81401978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).