4-(3-aminopropyl)-3H-pyrrol-2-amine

C7H13N3 — CID 58309999

IUPAC4-(3-aminopropyl)-3H-pyrrol-2-amine
SMILESNCCCC1=CN=C(N)C1
InChIInChI=1S/C7H13N3/c8-3-1-2-6-4-7(9)10-5-6/h5H,1-4,8H2,(H2,9,10)
InChIKeyVRLJRJNDOHHFKS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.37
Rot. Bonds3

About 4-(3-aminopropyl)-3H-pyrrol-2-amine

4-(3-aminopropyl)-3H-pyrrol-2-amine (PubChem CID 58309999) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-(3-aminopropyl)-3H-pyrrol-2-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-3H-pyrrol-2-amine
PubChem CID58309999
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-(3-aminopropyl)-3H-pyrrol-2-amine
SMILESNCCCC1=CN=C(N)C1
InChIInChI=1S/C7H13N3/c8-3-1-2-6-4-7(9)10-5-6/h5H,1-4,8H2,(H2,9,10)
InChIKeyVRLJRJNDOHHFKS-UHFFFAOYSA-N
XLogP0.37
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-3H-pyrrol-2-amine?
The IUPAC name of 4-(3-aminopropyl)-3H-pyrrol-2-amine (CID 58309999) is 4-(3-aminopropyl)-3H-pyrrol-2-amine.
What is the SMILES notation for 4-(3-aminopropyl)-3H-pyrrol-2-amine?
The canonical SMILES for 4-(3-aminopropyl)-3H-pyrrol-2-amine is NCCCC1=CN=C(N)C1.
What is the InChIKey of 4-(3-aminopropyl)-3H-pyrrol-2-amine?
The InChIKey is VRLJRJNDOHHFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c8-3-1-2-6-4-7(9)10-5-6/h5H,1-4,8H2,(H2,9,10).
What are the key properties of 4-(3-aminopropyl)-3H-pyrrol-2-amine?
4-(3-aminopropyl)-3H-pyrrol-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-3H-pyrrol-2-amine is sourced from PubChem (CID 58309999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).