3-pyrrol-1-ylpropan-1-amine

C7H12N2 — CID 4585582

IUPAC3-pyrrol-1-ylpropan-1-amine
SMILESNCCCn1cccc1
InChIInChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7-8H2
InChIKeyCNRYJJXBFLHSJP-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.84
Rot. Bonds3

About 3-pyrrol-1-ylpropan-1-amine

3-pyrrol-1-ylpropan-1-amine (PubChem CID 4585582) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-pyrrol-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-pyrrol-1-ylpropan-1-amine
PubChem CID4585582
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-pyrrol-1-ylpropan-1-amine
SMILESNCCCn1cccc1
InChIInChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7-8H2
InChIKeyCNRYJJXBFLHSJP-UHFFFAOYSA-N
XLogP0.84
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylpropan-1-amine?
The IUPAC name of 3-pyrrol-1-ylpropan-1-amine (CID 4585582) is 3-pyrrol-1-ylpropan-1-amine.
What is the SMILES notation for 3-pyrrol-1-ylpropan-1-amine?
The canonical SMILES for 3-pyrrol-1-ylpropan-1-amine is NCCCn1cccc1.
What is the InChIKey of 3-pyrrol-1-ylpropan-1-amine?
The InChIKey is CNRYJJXBFLHSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 3-pyrrol-1-ylpropan-1-amine?
3-pyrrol-1-ylpropan-1-amine has a molecular weight of 124.19 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylpropan-1-amine is sourced from PubChem (CID 4585582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).