2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide

C19H36BrN — CID 174987757

IUPAC2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
SMILESBr.CCCCCCCCCCCCCCc1cc[nH]c1C
InChIInChI=1S/C19H35N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20-18(19)2;/h16-17,20H,3-15H2,1-2H3;1H
InChIKeyUNRGZBICXBJGDC-UHFFFAOYSA-N
MW358.41 g/mol
LogP7.14
Rot. Bonds13

About 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide

2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide (PubChem CID 174987757) has the molecular formula C19H36BrN and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide.

Molecular Properties

Compound Name2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
PubChem CID174987757
Molecular FormulaC19H36BrN
Molecular Weight358.41 g/mol
Exact Mass357.20
IUPAC Name2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
SMILESBr.CCCCCCCCCCCCCCc1cc[nH]c1C
InChIInChI=1S/C19H35N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20-18(19)2;/h16-17,20H,3-15H2,1-2H3;1H
InChIKeyUNRGZBICXBJGDC-UHFFFAOYSA-N
XLogP7.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
2,3-dihexadecyl-1H-pyrrole
CID 175695832
3-hexyl-1H-pyrrol-2-ol
CID 140967880
3-dodecyl-2-ethyl-1H-pyrrole
CID 155659713
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
(2-pentyl-1H-pyrrol-3-yl)methanol
CID 67828685
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide?
The IUPAC name of 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide (CID 174987757) is 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide.
What is the SMILES notation for 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide?
The canonical SMILES for 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide is Br.CCCCCCCCCCCCCCc1cc[nH]c1C.
What is the InChIKey of 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide?
The InChIKey is UNRGZBICXBJGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20-18(19)2;/h16-17,20H,3-15H2,1-2H3;1H.
What are the key properties of 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide?
2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide has a molecular weight of 358.41 g/mol, XLogP of 7.14, 13 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide is sourced from PubChem (CID 174987757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).