2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine

C15H21N3 — CID 66404386

IUPAC2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccn(Cc2ccncc2)c1
InChIInChI=1S/C15H21N3/c1-15(2,3)17-10-14-6-9-18(12-14)11-13-4-7-16-8-5-13/h4-9,12,17H,10-11H2,1-3H3
InChIKeyCRALEYFTXZKHPT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66404386) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66404386
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccn(Cc2ccncc2)c1
InChIInChI=1S/C15H21N3/c1-15(2,3)17-10-14-6-9-18(12-14)11-13-4-7-16-8-5-13/h4-9,12,17H,10-11H2,1-3H3
InChIKeyCRALEYFTXZKHPT-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404585
N-[[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66403968
N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66403975
N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404786
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405995
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406189
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114528934
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406190
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 115332686
2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405985
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66405391
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine (CID 66404386) is 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine is CC(C)(C)NCc1ccn(Cc2ccncc2)c1.
What is the InChIKey of 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is CRALEYFTXZKHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)17-10-14-6-9-18(12-14)11-13-4-7-16-8-5-13/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66404386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).