3-(1-methylpyrrol-3-yl)propan-1-amine

C8H14N2 — CID 82280072

IUPAC3-(1-methylpyrrol-3-yl)propan-1-amine
SMILESCn1ccc(CCCN)c1
InChIInChI=1S/C8H14N2/c1-10-6-4-8(7-10)3-2-5-9/h4,6-7H,2-3,5,9H2,1H3
InChIKeyDGCHZMLPHFDIQB-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.92
Rot. Bonds3

About 3-(1-methylpyrrol-3-yl)propan-1-amine

3-(1-methylpyrrol-3-yl)propan-1-amine (PubChem CID 82280072) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(1-methylpyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrrol-3-yl)propan-1-amine
PubChem CID82280072
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-(1-methylpyrrol-3-yl)propan-1-amine
SMILESCn1ccc(CCCN)c1
InChIInChI=1S/C8H14N2/c1-10-6-4-8(7-10)3-2-5-9/h4,6-7H,2-3,5,9H2,1H3
InChIKeyDGCHZMLPHFDIQB-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-methylpyrrol-3-yl)propan-1-amine (CID 82280072) is 3-(1-methylpyrrol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylpyrrol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylpyrrol-3-yl)propan-1-amine is Cn1ccc(CCCN)c1.
What is the InChIKey of 3-(1-methylpyrrol-3-yl)propan-1-amine?
The InChIKey is DGCHZMLPHFDIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-6-4-8(7-10)3-2-5-9/h4,6-7H,2-3,5,9H2,1H3.
What are the key properties of 3-(1-methylpyrrol-3-yl)propan-1-amine?
3-(1-methylpyrrol-3-yl)propan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 82280072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).