2-(1-nonylpyrrol-2-yl)ethanamine

C15H28N2 — CID 66405846

IUPAC2-(1-nonylpyrrol-2-yl)ethanamine
SMILESCCCCCCCCCn1cccc1CCN
InChIInChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-13-17-14-9-10-15(17)11-12-16/h9-10,14H,2-8,11-13,16H2,1H3
InChIKeyUJNKMFXULRRNAY-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.74
Rot. Bonds10

About 2-(1-nonylpyrrol-2-yl)ethanamine

2-(1-nonylpyrrol-2-yl)ethanamine (PubChem CID 66405846) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(1-nonylpyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-nonylpyrrol-2-yl)ethanamine
PubChem CID66405846
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-(1-nonylpyrrol-2-yl)ethanamine
SMILESCCCCCCCCCn1cccc1CCN
InChIInChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-13-17-14-9-10-15(17)11-12-16/h9-10,14H,2-8,11-13,16H2,1H3
InChIKeyUJNKMFXULRRNAY-UHFFFAOYSA-N
XLogP3.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.74
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

1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
1-octyl-2-propylpyrrole
CID 171570532
1-dodecyl-2-ethylpyrrole;hydrochloride
CID 175874799
2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
CID 104649672
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
1-dodecyl-2-propylpyrrole;trifluoromethanesulfonic acid
CID 175874765
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
1-pentylpyrrol-2-amine
CID 68716148

Frequently Asked Questions

What is the IUPAC name of 2-(1-nonylpyrrol-2-yl)ethanamine?
The IUPAC name of 2-(1-nonylpyrrol-2-yl)ethanamine (CID 66405846) is 2-(1-nonylpyrrol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-nonylpyrrol-2-yl)ethanamine?
The canonical SMILES for 2-(1-nonylpyrrol-2-yl)ethanamine is CCCCCCCCCn1cccc1CCN.
What is the InChIKey of 2-(1-nonylpyrrol-2-yl)ethanamine?
The InChIKey is UJNKMFXULRRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-13-17-14-9-10-15(17)11-12-16/h9-10,14H,2-8,11-13,16H2,1H3.
What are the key properties of 2-(1-nonylpyrrol-2-yl)ethanamine?
2-(1-nonylpyrrol-2-yl)ethanamine has a molecular weight of 236.40 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nonylpyrrol-2-yl)ethanamine is sourced from PubChem (CID 66405846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).