2-pentyl-1H-pyrrol-3-amine

C9H16N2 — CID 69371846

IUPAC2-pentyl-1H-pyrrol-3-amine
SMILESCCCCCc1[nH]ccc1N
InChIInChI=1S/C9H16N2/c1-2-3-4-5-9-8(10)6-7-11-9/h6-7,11H,2-5,10H2,1H3
InChIKeySSPRSDVTCOILAI-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.33
Rot. Bonds4

About 2-pentyl-1H-pyrrol-3-amine

2-pentyl-1H-pyrrol-3-amine (PubChem CID 69371846) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-pentyl-1H-pyrrol-3-amine.

Molecular Properties

Compound Name2-pentyl-1H-pyrrol-3-amine
PubChem CID69371846
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-pentyl-1H-pyrrol-3-amine
SMILESCCCCCc1[nH]ccc1N
InChIInChI=1S/C9H16N2/c1-2-3-4-5-9-8(10)6-7-11-9/h6-7,11H,2-5,10H2,1H3
InChIKeySSPRSDVTCOILAI-UHFFFAOYSA-N
XLogP2.33
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihexadecyl-1H-pyrrole
CID 175695832
(2-pentyl-1H-pyrrol-3-yl)methanol
CID 67828685
3-dodecyl-2-ethyl-1H-pyrrole
CID 155659713
ethyl 2-undecyl-1H-pyrrole-3-carboxylate
CID 11449260
2,3-dihexylbenzene-1,4-diamine
CID 18324632
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
3-hexyl-1H-pyrrol-2-ol
CID 140967880
2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
CID 174987757
2-decylbenzene-1,3-diamine
CID 141061522
2-hexacosyl-1H-pyrrole
CID 173177329
2-tetradecylaniline
CID 22218918

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1H-pyrrol-3-amine?
The IUPAC name of 2-pentyl-1H-pyrrol-3-amine (CID 69371846) is 2-pentyl-1H-pyrrol-3-amine.
What is the SMILES notation for 2-pentyl-1H-pyrrol-3-amine?
The canonical SMILES for 2-pentyl-1H-pyrrol-3-amine is CCCCCc1[nH]ccc1N.
What is the InChIKey of 2-pentyl-1H-pyrrol-3-amine?
The InChIKey is SSPRSDVTCOILAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-5-9-8(10)6-7-11-9/h6-7,11H,2-5,10H2,1H3.
What are the key properties of 2-pentyl-1H-pyrrol-3-amine?
2-pentyl-1H-pyrrol-3-amine has a molecular weight of 152.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-pyrrol-3-amine is sourced from PubChem (CID 69371846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).