1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde

C16H28N2O — CID 43185080

IUPAC1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCCN(CC)CCCC(C)n1c(C)cc(C=O)c1C
InChIInChI=1S/C16H28N2O/c1-6-17(7-2)10-8-9-13(3)18-14(4)11-16(12-19)15(18)5/h11-13H,6-10H2,1-5H3
InChIKeyQTZKMYPAIBIQOT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.60
Rot. Bonds8

About 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde

1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 43185080) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID43185080
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCCN(CC)CCCC(C)n1c(C)cc(C=O)c1C
InChIInChI=1S/C16H28N2O/c1-6-17(7-2)10-8-9-13(3)18-14(4)11-16(12-19)15(18)5/h11-13H,6-10H2,1-5H3
InChIKeyQTZKMYPAIBIQOT-UHFFFAOYSA-N
XLogP3.60
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde 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 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde (CID 43185080) is 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde is CCN(CC)CCCC(C)n1c(C)cc(C=O)c1C.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is QTZKMYPAIBIQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-17(7-2)10-8-9-13(3)18-14(4)11-16(12-19)15(18)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde?
1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 264.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 43185080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).