N-octylpyrrol-1-amine

C12H22N2 — CID 69416123

IUPACN-octylpyrrol-1-amine
SMILESCCCCCCCCNn1cccc1
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-10-13-14-11-8-9-12-14/h8-9,11-13H,2-7,10H2,1H3
InChIKeyLSOIWMGXPDRHKO-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.39
Rot. Bonds8

About N-octylpyrrol-1-amine

N-octylpyrrol-1-amine (PubChem CID 69416123) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-octylpyrrol-1-amine.

Molecular Properties

Compound NameN-octylpyrrol-1-amine
PubChem CID69416123
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-octylpyrrol-1-amine
SMILESCCCCCCCCNn1cccc1
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-10-13-14-11-8-9-12-14/h8-9,11-13H,2-7,10H2,1H3
InChIKeyLSOIWMGXPDRHKO-UHFFFAOYSA-N
XLogP3.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.39
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

N-octylaziridin-1-amine
CID 175164558
N-octadecylaziridin-1-amine
CID 56627527
N-(4-methylpentyl)pyrrol-1-amine
CID 83155655
N-hexyl-2,5-dimethylpyrrol-1-amine
CID 79101002
N-icosylpyrrolidin-1-amine
CID 23212585
4-methyl-N-octylpiperazin-1-amine
CID 83010569
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
1-(hexylamino)pyrrole-2,5-dione
CID 68628927
N-pentadecylpiperazin-1-amine
CID 11690308
1-heptadecylpyrrole
CID 23344128
1-docosylpyrrole
CID 23344131
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915

Frequently Asked Questions

What is the IUPAC name of N-octylpyrrol-1-amine?
The IUPAC name of N-octylpyrrol-1-amine (CID 69416123) is N-octylpyrrol-1-amine.
What is the SMILES notation for N-octylpyrrol-1-amine?
The canonical SMILES for N-octylpyrrol-1-amine is CCCCCCCCNn1cccc1.
What is the InChIKey of N-octylpyrrol-1-amine?
The InChIKey is LSOIWMGXPDRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-4-5-6-7-10-13-14-11-8-9-12-14/h8-9,11-13H,2-7,10H2,1H3.
What are the key properties of N-octylpyrrol-1-amine?
N-octylpyrrol-1-amine has a molecular weight of 194.32 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylpyrrol-1-amine is sourced from PubChem (CID 69416123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).