2-pyrrol-1-ylpentan-1-amine

C9H16N2 — CID 65192247

IUPAC2-pyrrol-1-ylpentan-1-amine
SMILESCCCC(CN)n1cccc1
InChIInChI=1S/C9H16N2/c1-2-5-9(8-10)11-6-3-4-7-11/h3-4,6-7,9H,2,5,8,10H2,1H3
InChIKeyPWBXDHHTRUACHQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.79
Rot. Bonds4

About 2-pyrrol-1-ylpentan-1-amine

2-pyrrol-1-ylpentan-1-amine (PubChem CID 65192247) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-pyrrol-1-ylpentan-1-amine.

Molecular Properties

Compound Name2-pyrrol-1-ylpentan-1-amine
PubChem CID65192247
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-pyrrol-1-ylpentan-1-amine
SMILESCCCC(CN)n1cccc1
InChIInChI=1S/C9H16N2/c1-2-5-9(8-10)11-6-3-4-7-11/h3-4,6-7,9H,2,5,8,10H2,1H3
InChIKeyPWBXDHHTRUACHQ-UHFFFAOYSA-N
XLogP1.79
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylpentan-1-amine?
The IUPAC name of 2-pyrrol-1-ylpentan-1-amine (CID 65192247) is 2-pyrrol-1-ylpentan-1-amine.
What is the SMILES notation for 2-pyrrol-1-ylpentan-1-amine?
The canonical SMILES for 2-pyrrol-1-ylpentan-1-amine is CCCC(CN)n1cccc1.
What is the InChIKey of 2-pyrrol-1-ylpentan-1-amine?
The InChIKey is PWBXDHHTRUACHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-5-9(8-10)11-6-3-4-7-11/h3-4,6-7,9H,2,5,8,10H2,1H3.
What are the key properties of 2-pyrrol-1-ylpentan-1-amine?
2-pyrrol-1-ylpentan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylpentan-1-amine is sourced from PubChem (CID 65192247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).