3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol

C12H20N2O — CID 66414820

IUPAC3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCCn1ccc(CNCC2CC(O)C2)c1
InChIInChI=1S/C12H20N2O/c1-2-14-4-3-10(9-14)7-13-8-11-5-12(15)6-11/h3-4,9,11-13,15H,2,5-8H2,1H3
InChIKeyWVQVGUXXCJVKAY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.37
Rot. Bonds5

About 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol

3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 66414820) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
PubChem CID66414820
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCCn1ccc(CNCC2CC(O)C2)c1
InChIInChI=1S/C12H20N2O/c1-2-14-4-3-10(9-14)7-13-8-11-5-12(15)6-11/h3-4,9,11-13,15H,2,5-8H2,1H3
InChIKeyWVQVGUXXCJVKAY-UHFFFAOYSA-N
XLogP1.37
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114628998
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
N-[(1-ethylpyrrol-3-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66415588
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 66416766
4-[(1-ethylpyrrol-3-yl)methylamino]butanoic acid
CID 66413985
6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol
CID 103270570
N-[[1-(oxan-4-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406332
2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 66397768

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol (CID 66414820) is 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol is CCn1ccc(CNCC2CC(O)C2)c1.
What is the InChIKey of 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is WVQVGUXXCJVKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-14-4-3-10(9-14)7-13-8-11-5-12(15)6-11/h3-4,9,11-13,15H,2,5-8H2,1H3.
What are the key properties of 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol?
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66414820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).