2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol

C14H26N2O — CID 103527583

IUPAC2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1ccc(CNCCCC(C)CO)c1
InChIInChI=1S/C14H26N2O/c1-3-8-16-9-6-14(11-16)10-15-7-4-5-13(2)12-17/h6,9,11,13,15,17H,3-5,7-8,10,12H2,1-2H3
InChIKeyHTTPKQJJQIBYMN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.40
Rot. Bonds9

About 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol

2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol (PubChem CID 103527583) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
PubChem CID103527583
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1ccc(CNCCCC(C)CO)c1
InChIInChI=1S/C14H26N2O/c1-3-8-16-9-6-14(11-16)10-15-7-4-5-13(2)12-17/h6,9,11,13,15,17H,3-5,7-8,10,12H2,1-2H3
InChIKeyHTTPKQJJQIBYMN-UHFFFAOYSA-N
XLogP2.40
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
6-methylsulfanyl-N-[(1-propylpyrrol-3-yl)methyl]hexan-1-amine
CID 103527657
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
2-(2,2-difluoroethoxy)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 103527742
N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66415755
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol
CID 103270570
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 66399627
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol (CID 103527583) is 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol is CCCn1ccc(CNCCCC(C)CO)c1.
What is the InChIKey of 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol?
The InChIKey is HTTPKQJJQIBYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-8-16-9-6-14(11-16)10-15-7-4-5-13(2)12-17/h6,9,11,13,15,17H,3-5,7-8,10,12H2,1-2H3.
What are the key properties of 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol?
2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103527583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).