2-[ethyl(pyrrolidin-3-yl)amino]ethanol

C8H18N2O — CID 56831602

IUPAC2-[ethyl(pyrrolidin-3-yl)amino]ethanol
SMILESCCN(CCO)C1CCNC1
InChIInChI=1S/C8H18N2O/c1-2-10(5-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3
InChIKeyBZFVPZOPMZQVJS-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.34
Rot. Bonds4

About 2-[ethyl(pyrrolidin-3-yl)amino]ethanol

2-[ethyl(pyrrolidin-3-yl)amino]ethanol (PubChem CID 56831602) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-3-yl)amino]ethanol
PubChem CID56831602
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-[ethyl(pyrrolidin-3-yl)amino]ethanol
SMILESCCN(CCO)C1CCNC1
InChIInChI=1S/C8H18N2O/c1-2-10(5-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3
InChIKeyBZFVPZOPMZQVJS-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride
CID 56831592
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
N-ethyl-N-(2-ethylsulfonylethyl)pyrrolidin-3-amine
CID 63299823
2-[2-hydroxyethyl(piperidin-3-yl)amino]ethanol
CID 79468041
N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine
CID 63299689
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-cyclopropyl-3-[ethyl(pyrrolidin-3-yl)amino]propanamide
CID 63300096
1-[[2-hydroxyethyl(pyrrolidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 126846014
N-ethyl-N-(2-piperidin-1-ylethyl)pyrrolidin-3-amine
CID 63299869

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidin-3-yl)amino]ethanol?
The IUPAC name of 2-[ethyl(pyrrolidin-3-yl)amino]ethanol (CID 56831602) is 2-[ethyl(pyrrolidin-3-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(pyrrolidin-3-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl(pyrrolidin-3-yl)amino]ethanol is CCN(CCO)C1CCNC1.
What is the InChIKey of 2-[ethyl(pyrrolidin-3-yl)amino]ethanol?
The InChIKey is BZFVPZOPMZQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-10(5-6-11)8-3-4-9-7-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-[ethyl(pyrrolidin-3-yl)amino]ethanol?
2-[ethyl(pyrrolidin-3-yl)amino]ethanol has a molecular weight of 158.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidin-3-yl)amino]ethanol is sourced from PubChem (CID 56831602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).