N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine

C11H15N3 — CID 79508874

IUPACN-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1cc(CCNC2=NCCC2)ccn1
InChIInChI=1S/C11H15N3/c1-2-11(13-6-1)14-9-5-10-3-7-12-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,13,14)
InChIKeyCULVSIOIIVXMAW-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.41
Rot. Bonds3

About N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79508874) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79508874
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1cc(CCNC2=NCCC2)ccn1
InChIInChI=1S/C11H15N3/c1-2-11(13-6-1)14-9-5-10-3-7-12-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,13,14)
InChIKeyCULVSIOIIVXMAW-UHFFFAOYSA-N
XLogP1.41
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 2123179
N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79508804
N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428438
N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79508326
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
N-[2-(2-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508323
N-[2-(2-fluorophenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508216
3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 81036321
4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 65169271
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
N-[(4-ethylphenyl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 106899630

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 79508874) is N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine is c1cc(CCNC2=NCCC2)ccn1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is CULVSIOIIVXMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-11(13-6-1)14-9-5-10-3-7-12-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,13,14).
What are the key properties of N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79508874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).