N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine

C15H27N3 — CID 66401991

IUPACN-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccn1CCN1CCCCC1
InChIInChI=1S/C15H27N3/c1-14(2)16-13-15-7-6-10-18(15)12-11-17-8-4-3-5-9-17/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3
InChIKeyAJVWLFKZVIYALN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.47
Rot. Bonds6

About N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine

N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66401991) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66401991
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccn1CCN1CCCCC1
InChIInChI=1S/C15H27N3/c1-14(2)16-13-15-7-6-10-18(15)12-11-17-8-4-3-5-9-17/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3
InChIKeyAJVWLFKZVIYALN-UHFFFAOYSA-N
XLogP2.47
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]ethanone
CID 66403739
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine
CID 7318399
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
N-methyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanamine
CID 66401352
N-[[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 105405116
methyl 4-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]butanoate
CID 66403352
N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400811
N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine
CID 46784881
1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 3537939

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine (CID 66401991) is N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine is CC(C)NCc1cccn1CCN1CCCCC1.
What is the InChIKey of N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is AJVWLFKZVIYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2)16-13-15-7-6-10-18(15)12-11-17-8-4-3-5-9-17/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine?
N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66401991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).