3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol

C11H20N2O2 — CID 66445604

IUPAC3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCCn1cccc1CNCC(C)(O)CO
InChIInChI=1S/C11H20N2O2/c1-3-13-6-4-5-10(13)7-12-8-11(2,15)9-14/h4-6,12,14-15H,3,7-9H2,1-2H3
InChIKeyZBWJYFKQAPNXJY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.34
Rot. Bonds6

About 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol

3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 66445604) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol
PubChem CID66445604
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCCn1cccc1CNCC(C)(O)CO
InChIInChI=1S/C11H20N2O2/c1-3-13-6-4-5-10(13)7-12-8-11(2,15)9-14/h4-6,12,14-15H,3,7-9H2,1-2H3
InChIKeyZBWJYFKQAPNXJY-UHFFFAOYSA-N
XLogP0.34
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.34
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
tert-butyl N-[3-[(1-ethylpyrrol-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257566
3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
CID 66443840
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108
N'-[(1-ethylpyrrol-2-yl)methyl]butane-1,4-diamine
CID 66411172
N-[(1-ethylpyrrol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353222
2,2-difluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 104857754
2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol
CID 66411511
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
CID 66444793
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 66444811

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol (CID 66445604) is 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol is CCn1cccc1CNCC(C)(O)CO.
What is the InChIKey of 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is ZBWJYFKQAPNXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-13-6-4-5-10(13)7-12-8-11(2,15)9-14/h4-6,12,14-15H,3,7-9H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol?
3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 212.29 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66445604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).