1-pentylpyrrol-2-amine

C9H16N2 — CID 68716148

IUPAC1-pentylpyrrol-2-amine
SMILESCCCCCn1cccc1N
InChIInChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-6-9(11)10/h5-6,8H,2-4,7,10H2,1H3
InChIKeyAHMLZVHKYMZKTM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds4

About 1-pentylpyrrol-2-amine

1-pentylpyrrol-2-amine (PubChem CID 68716148) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-pentylpyrrol-2-amine.

Molecular Properties

Compound Name1-pentylpyrrol-2-amine
PubChem CID68716148
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-pentylpyrrol-2-amine
SMILESCCCCCn1cccc1N
InChIInChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-6-9(11)10/h5-6,8H,2-4,7,10H2,1H3
InChIKeyAHMLZVHKYMZKTM-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-pentylpyridin-2-one
CID 62102446
(1-dodecylpyrrol-2-yl)phosphane
CID 21095442
2-methyl-1-undecylpyrrole;hydrofluoride
CID 175874866
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
1-dodecyl-2-ethylpyrrole;hydrochloride
CID 175874799
1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
1-octyl-2-propylpyrrole
CID 171570532
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
3-amino-1-butylpyridin-2-one
CID 62102283
1-butyl-2-methylpyrrole
CID 66974034
3-iodo-1-pentylpyridin-2-one
CID 79785003

Frequently Asked Questions

What is the IUPAC name of 1-pentylpyrrol-2-amine?
The IUPAC name of 1-pentylpyrrol-2-amine (CID 68716148) is 1-pentylpyrrol-2-amine.
What is the SMILES notation for 1-pentylpyrrol-2-amine?
The canonical SMILES for 1-pentylpyrrol-2-amine is CCCCCn1cccc1N.
What is the InChIKey of 1-pentylpyrrol-2-amine?
The InChIKey is AHMLZVHKYMZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-6-9(11)10/h5-6,8H,2-4,7,10H2,1H3.
What are the key properties of 1-pentylpyrrol-2-amine?
1-pentylpyrrol-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyrrol-2-amine is sourced from PubChem (CID 68716148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).