2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol

C13H22N2O — CID 66444428

IUPAC2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCCn1cccc1CNCC1CCCC1O
InChIInChI=1S/C13H22N2O/c1-2-15-8-4-6-12(15)10-14-9-11-5-3-7-13(11)16/h4,6,8,11,13-14,16H,2-3,5,7,9-10H2,1H3
InChIKeyKSFBGKWNESUYHO-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.76
Rot. Bonds5

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

2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 66444428) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID66444428
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCCn1cccc1CNCC1CCCC1O
InChIInChI=1S/C13H22N2O/c1-2-15-8-4-6-12(15)10-14-9-11-5-3-7-13(11)16/h4,6,8,11,13-14,16H,2-3,5,7,9-10H2,1H3
InChIKeyKSFBGKWNESUYHO-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
CID 66444793
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66413133
[2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 66444623
2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
CID 66444409
N-[(1-ethylpyrrol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353222
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
2-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 111862139
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108
1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66444599
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol (CID 66444428) is 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol is CCn1cccc1CNCC1CCCC1O.
What is the InChIKey of 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is KSFBGKWNESUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15-8-4-6-12(15)10-14-9-11-5-3-7-13(11)16/h4,6,8,11,13-14,16H,2-3,5,7,9-10H2,1H3.
What are the key properties of 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol?
2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 66444428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).