5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol

C14H26N2O — CID 66402617

IUPAC5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
SMILESCC(C)CNCc1cccn1CCCCCO
InChIInChI=1S/C14H26N2O/c1-13(2)11-15-12-14-7-6-9-16(14)8-4-3-5-10-17/h6-7,9,13,15,17H,3-5,8,10-12H2,1-2H3
InChIKeyAVOYABIUCOFFPO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.40
Rot. Bonds9

About 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol

5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol (PubChem CID 66402617) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
PubChem CID66402617
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
SMILESCC(C)CNCc1cccn1CCCCCO
InChIInChI=1S/C14H26N2O/c1-13(2)11-15-12-14-7-6-9-16(14)8-4-3-5-10-17/h6-7,9,13,15,17H,3-5,8,10-12H2,1-2H3
InChIKeyAVOYABIUCOFFPO-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

5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402630
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403216
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol
CID 66407517
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66413411
N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402047

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol?
The IUPAC name of 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol (CID 66402617) is 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol is CC(C)CNCc1cccn1CCCCCO.
What is the InChIKey of 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol?
The InChIKey is AVOYABIUCOFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)11-15-12-14-7-6-9-16(14)8-4-3-5-10-17/h6-7,9,13,15,17H,3-5,8,10-12H2,1-2H3.
What are the key properties of 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol?
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]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 5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol is sourced from PubChem (CID 66402617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).