4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol

C14H26N2O — CID 106348657

IUPAC4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol
SMILESCc1cc(CNC(CCO)C(C)C)c(C)n1C
InChIInChI=1S/C14H26N2O/c1-10(2)14(6-7-17)15-9-13-8-11(3)16(5)12(13)4/h8,10,14-15,17H,6-7,9H2,1-5H3
InChIKeyRTQLBPAXVHJGBO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds6

About 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol

4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol (PubChem CID 106348657) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol
PubChem CID106348657
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol
SMILESCc1cc(CNC(CCO)C(C)C)c(C)n1C
InChIInChI=1S/C14H26N2O/c1-10(2)14(6-7-17)15-9-13-8-11(3)16(5)12(13)4/h8,10,14-15,17H,6-7,9H2,1-5H3
InChIKeyRTQLBPAXVHJGBO-UHFFFAOYSA-N
XLogP2.14
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol
CID 65037125
3-[(2,5-dimethylthiophen-3-yl)methylamino]-4-methylpentan-1-ol
CID 103766012
1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine
CID 62472923
2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol
CID 63182352
5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103700931
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]octan-4-amine
CID 114138041
3-[(4-chloro-2-methylphenyl)methylamino]-4-methylpentan-1-ol
CID 104854271
4-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentan-1-amine
CID 62473871
4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103701021
N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 82708999
1-(2,4-dimethylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62472782
1-N,1-N,4-trimethyl-2-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,2-diamine
CID 62472955

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol (CID 106348657) is 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol is Cc1cc(CNC(CCO)C(C)C)c(C)n1C.
What is the InChIKey of 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol?
The InChIKey is RTQLBPAXVHJGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)14(6-7-17)15-9-13-8-11(3)16(5)12(13)4/h8,10,14-15,17H,6-7,9H2,1-5H3.
What are the key properties of 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol?
4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 106348657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).