3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol

C9H20N2O — CID 104711134

IUPAC3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol
SMILESCCC1CCN(C(CN)CO)C1
InChIInChI=1S/C9H20N2O/c1-2-8-3-4-11(6-8)9(5-10)7-12/h8-9,12H,2-7,10H2,1H3
InChIKeyZXZGBONOQNJSEJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds4

About 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol

3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol (PubChem CID 104711134) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol
PubChem CID104711134
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol
SMILESCCC1CCN(C(CN)CO)C1
InChIInChI=1S/C9H20N2O/c1-2-8-3-4-11(6-8)9(5-10)7-12/h8-9,12H,2-7,10H2,1H3
InChIKeyZXZGBONOQNJSEJ-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 104840510
2-(3-ethylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 113417146
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-aminopropan-1-ol
CID 104710852
3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 104710860
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
CID 104711109
2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine
CID 66270128
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535
2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
CID 64568314
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104575477
2-(4-ethylpiperidin-1-yl)pentan-3-amine
CID 61420806
3-amino-2-(azocan-1-yl)propan-1-ol
CID 104710806

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol (CID 104711134) is 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol is CCC1CCN(C(CN)CO)C1.
What is the InChIKey of 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is ZXZGBONOQNJSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-8-3-4-11(6-8)9(5-10)7-12/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol?
3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 104711134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).