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

C13H22N2O — CID 66416766

IUPAC1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCCn1ccc(CNCC2(O)CCCC2)c1
InChIInChI=1S/C13H22N2O/c1-2-15-8-5-12(10-15)9-14-11-13(16)6-3-4-7-13/h5,8,10,14,16H,2-4,6-7,9,11H2,1H3
InChIKeyBMKZFKNVXUSCEK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.90
Rot. Bonds5

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

1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 66416766) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID66416766
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCCn1ccc(CNCC2(O)CCCC2)c1
InChIInChI=1S/C13H22N2O/c1-2-15-8-5-12(10-15)9-14-11-13(16)6-3-4-7-13/h5,8,10,14,16H,2-4,6-7,9,11H2,1H3
InChIKeyBMKZFKNVXUSCEK-UHFFFAOYSA-N
XLogP1.90
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66416369
[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965890
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66414820
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol (CID 66416766) is 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol is CCn1ccc(CNCC2(O)CCCC2)c1.
What is the InChIKey of 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is BMKZFKNVXUSCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15-8-5-12(10-15)9-14-11-13(16)6-3-4-7-13/h5,8,10,14,16H,2-4,6-7,9,11H2,1H3.
What are the key properties of 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 66416766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).