N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine

C13H24N2 — CID 133202807

IUPACN-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
SMILESCCNCc1cc(C)n(C(C)CC)c1C
InChIInChI=1S/C13H24N2/c1-6-10(3)15-11(4)8-13(12(15)5)9-14-7-2/h8,10,14H,6-7,9H2,1-5H3
InChIKeyGQSFJCOKBXDWHN-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.19
Rot. Bonds5

About N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine

N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 133202807) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID133202807
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
SMILESCCNCc1cc(C)n(C(C)CC)c1C
InChIInChI=1S/C13H24N2/c1-6-10(3)15-11(4)8-13(12(15)5)9-14-7-2/h8,10,14H,6-7,9H2,1-5H3
InChIKeyGQSFJCOKBXDWHN-UHFFFAOYSA-N
XLogP3.19
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine 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 N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine (CID 133202807) is N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine is CCNCc1cc(C)n(C(C)CC)c1C.
What is the InChIKey of N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is GQSFJCOKBXDWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-10(3)15-11(4)8-13(12(15)5)9-14-7-2/h8,10,14H,6-7,9H2,1-5H3.
What are the key properties of N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine?
N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 208.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 133202807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).