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

C15H21N3 — CID 66411298

IUPACN-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCCCn1cccc1CNC(C)c1cccnc1
InChIInChI=1S/C15H21N3/c1-3-9-18-10-5-7-15(18)12-17-13(2)14-6-4-8-16-11-14/h4-8,10-11,13,17H,3,9,12H2,1-2H3
InChIKeyMWQJJVWPRLZSLE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.14
Rot. Bonds6

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

N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 66411298) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID66411298
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCCCn1cccc1CNC(C)c1cccnc1
InChIInChI=1S/C15H21N3/c1-3-9-18-10-5-7-15(18)12-17-13(2)14-6-4-8-16-11-14/h4-8,10-11,13,17H,3,9,12H2,1-2H3
InChIKeyMWQJJVWPRLZSLE-UHFFFAOYSA-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

(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
(1S)-1-(3-bromophenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81382188
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81375246
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837
1-(2,4-dimethylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66410790

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine (CID 66411298) is N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine is CCCn1cccc1CNC(C)c1cccnc1.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is MWQJJVWPRLZSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-9-18-10-5-7-15(18)12-17-13(2)14-6-4-8-16-11-14/h4-8,10-11,13,17H,3,9,12H2,1-2H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine?
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-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 N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 66411298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).