1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol

C10H18N2O — CID 66411513

IUPAC1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
SMILESCCn1cccc1CNCC(C)O
InChIInChI=1S/C10H18N2O/c1-3-12-6-4-5-10(12)8-11-7-9(2)13/h4-6,9,11,13H,3,7-8H2,1-2H3
InChIKeySYQBZTYRGZXEMN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.98
Rot. Bonds5

About 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol

1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol (PubChem CID 66411513) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
PubChem CID66411513
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
SMILESCCn1cccc1CNCC(C)O
InChIInChI=1S/C10H18N2O/c1-3-12-6-4-5-10(12)8-11-7-9(2)13/h4-6,9,11,13H,3,7-8H2,1-2H3
InChIKeySYQBZTYRGZXEMN-UHFFFAOYSA-N
XLogP0.98
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol
CID 66411511
1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 3537939
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 66443633
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
CID 66411115
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
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66445604
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108
3-[2-(ethylaminomethyl)pyrrol-1-yl]propane-1,2-diol
CID 82850357
N-[(1-ethylpyrrol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353222

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol (CID 66411513) is 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol is CCn1cccc1CNCC(C)O.
What is the InChIKey of 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol?
The InChIKey is SYQBZTYRGZXEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-12-6-4-5-10(12)8-11-7-9(2)13/h4-6,9,11,13H,3,7-8H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol?
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 66411513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).