3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine

C23H44N2 — CID 164615174

IUPAC3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine
SMILESCCCCCCCCCCCCCCc1c(C)c(C)cn1CCCN
InChIInChI=1S/C23H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-23-22(3)21(2)20-25(23)19-16-18-24/h20H,4-19,24H2,1-3H3
InChIKeyVCWUDCCYPIEXOR-UHFFFAOYSA-N
MW348.62 g/mol
LogP6.70
Rot. Bonds16

About 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine

3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine (PubChem CID 164615174) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine
PubChem CID164615174
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine
SMILESCCCCCCCCCCCCCCc1c(C)c(C)cn1CCCN
InChIInChI=1S/C23H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-23-22(3)21(2)20-25(23)19-16-18-24/h20H,4-19,24H2,1-3H3
InChIKeyVCWUDCCYPIEXOR-UHFFFAOYSA-N
XLogP6.70
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine (CID 164615174) is 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine is CCCCCCCCCCCCCCc1c(C)c(C)cn1CCCN.
What is the InChIKey of 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine?
The InChIKey is VCWUDCCYPIEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-23-22(3)21(2)20-25(23)19-16-18-24/h20H,4-19,24H2,1-3H3.
What are the key properties of 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine?
3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine has a molecular weight of 348.62 g/mol, XLogP of 6.70, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-2-tetradecylpyrrol-1-yl)propan-1-amine is sourced from PubChem (CID 164615174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).