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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Related Compounds

3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol
CID 111469432
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837
(1S)-1-(2-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81375246
2-(hydroxymethyl)-2-[(1-propylpyrrol-2-yl)methylamino]propane-1,3-diol
CID 114008971
(2S)-3-methyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 79249305
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148

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).