3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol

C10H18N2O2 — CID 82850357

IUPAC3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol
SMILESCCNCc1cccn1CC(O)CO
InChIInChI=1S/C10H18N2O2/c1-2-11-6-9-4-3-5-12(9)7-10(14)8-13/h3-5,10-11,13-14H,2,6-8H2,1H3
InChIKeyUTMZVPOPDYRLBQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.05
Rot. Bonds6

About 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol

3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol (PubChem CID 82850357) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol
PubChem CID82850357
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol
SMILESCCNCc1cccn1CC(O)CO
InChIInChI=1S/C10H18N2O2/c1-2-11-6-9-4-3-5-12(9)7-10(14)8-13/h3-5,10-11,13-14H,2,6-8H2,1H3
InChIKeyUTMZVPOPDYRLBQ-UHFFFAOYSA-N
XLogP-0.05
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66401762
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol
CID 66411511

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol (CID 82850357) is 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol is CCNCc1cccn1CC(O)CO.
What is the InChIKey of 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol?
The InChIKey is UTMZVPOPDYRLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-11-6-9-4-3-5-12(9)7-10(14)8-13/h3-5,10-11,13-14H,2,6-8H2,1H3.
What are the key properties of 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol?
3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol has a molecular weight of 198.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82850357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).