4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol

C14H26N2O — CID 106348680

IUPAC4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
SMILESCCCn1cccc1CNC(CCO)C(C)C
InChIInChI=1S/C14H26N2O/c1-4-8-16-9-5-6-13(16)11-15-14(7-10-17)12(2)3/h5-6,9,12,14-15,17H,4,7-8,10-11H2,1-3H3
InChIKeyDTWINBZQESEJPJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.39
Rot. Bonds8

About 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol

4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol (PubChem CID 106348680) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
PubChem CID106348680
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
SMILESCCCn1cccc1CNC(CCO)C(C)C
InChIInChI=1S/C14H26N2O/c1-4-8-16-9-5-6-13(16)11-15-14(7-10-17)12(2)3/h5-6,9,12,14-15,17H,4,7-8,10-11H2,1-3H3
InChIKeyDTWINBZQESEJPJ-UHFFFAOYSA-N
XLogP2.39
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol (CID 106348680) is 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol is CCCn1cccc1CNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol?
The InChIKey is DTWINBZQESEJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-8-16-9-5-6-13(16)11-15-14(7-10-17)12(2)3/h5-6,9,12,14-15,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol?
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 106348680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).