3-(1H-pyrrol-2-yl)propan-1-amine

C7H12N2 — CID 55265879

IUPAC3-(1H-pyrrol-2-yl)propan-1-amine
SMILESNCCCc1ccc[nH]1
InChIInChI=1S/C7H12N2/c8-5-1-3-7-4-2-6-9-7/h2,4,6,9H,1,3,5,8H2
InChIKeyZRCAHGVDEKPRSE-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.91
Rot. Bonds3

About 3-(1H-pyrrol-2-yl)propan-1-amine

3-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 55265879) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID55265879
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-(1H-pyrrol-2-yl)propan-1-amine
SMILESNCCCc1ccc[nH]1
InChIInChI=1S/C7H12N2/c8-5-1-3-7-4-2-6-9-7/h2,4,6,9H,1,3,5,8H2
InChIKeyZRCAHGVDEKPRSE-UHFFFAOYSA-N
XLogP0.91
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2,5-Dimethylpyrrole
CID 12265
2-Pyridinemethanamine
CID 19509
2-Ethylpyridine
CID 7523
Betahistine Hydrochloride
CID 68643
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
2-Methylpyrrole
CID 12489
2-Phenylpyrrole
CID 72898
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
2,4-Dimethylpyrrole
CID 39539

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of 3-(1H-pyrrol-2-yl)propan-1-amine (CID 55265879) is 3-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1H-pyrrol-2-yl)propan-1-amine is NCCCc1ccc[nH]1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is ZRCAHGVDEKPRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-5-1-3-7-4-2-6-9-7/h2,4,6,9H,1,3,5,8H2.
What are the key properties of 3-(1H-pyrrol-2-yl)propan-1-amine?
3-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 124.19 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 55265879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).