(1-propylpyrrol-3-yl)methanamine

C8H14N2 — CID 66410379

IUPAC(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CN)c1
InChIInChI=1S/C8H14N2/c1-2-4-10-5-3-8(6-9)7-10/h3,5,7H,2,4,6,9H2,1H3
InChIKeyZNKPVILXADENLY-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.36
Rot. Bonds3

About (1-propylpyrrol-3-yl)methanamine

(1-propylpyrrol-3-yl)methanamine (PubChem CID 66410379) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1-propylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1-propylpyrrol-3-yl)methanamine
PubChem CID66410379
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CN)c1
InChIInChI=1S/C8H14N2/c1-2-4-10-5-3-8(6-9)7-10/h3,5,7H,2,4,6,9H2,1H3
InChIKeyZNKPVILXADENLY-UHFFFAOYSA-N
XLogP1.36
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propylpyrrol-3-yl)methanamine?
The IUPAC name of (1-propylpyrrol-3-yl)methanamine (CID 66410379) is (1-propylpyrrol-3-yl)methanamine.
What is the SMILES notation for (1-propylpyrrol-3-yl)methanamine?
The canonical SMILES for (1-propylpyrrol-3-yl)methanamine is CCCn1ccc(CN)c1.
What is the InChIKey of (1-propylpyrrol-3-yl)methanamine?
The InChIKey is ZNKPVILXADENLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-4-10-5-3-8(6-9)7-10/h3,5,7H,2,4,6,9H2,1H3.
What are the key properties of (1-propylpyrrol-3-yl)methanamine?
(1-propylpyrrol-3-yl)methanamine has a molecular weight of 138.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66410379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).