2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen

C10H28N2O — CID 153346561

IUPAC2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen
SMILESCC.CC.NC1CCN(CCO)C1.[H][H]
InChIInChI=1S/C6H14N2O.2C2H6.H2/c7-6-1-2-8(5-6)3-4-9;2*1-2;/h6,9H,1-5,7H2;2*1-2H3;1H
InChIKeyTVCDDBBKFRETPR-UHFFFAOYSA-N
MW192.35 g/mol
LogP1.31
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen

2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen (PubChem CID 153346561) has the molecular formula C10H28N2O and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen
PubChem CID153346561
Molecular FormulaC10H28N2O
Molecular Weight192.35 g/mol
Exact Mass192.22
IUPAC Name2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen
SMILESCC.CC.NC1CCN(CCO)C1.[H][H]
InChIInChI=1S/C6H14N2O.2C2H6.H2/c7-6-1-2-8(5-6)3-4-9;2*1-2;/h6,9H,1-5,7H2;2*1-2H3;1H
InChIKeyTVCDDBBKFRETPR-UHFFFAOYSA-N
XLogP1.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
2-(4-aminopiperidin-1-yl)ethanol
CID 15733445
2-(4-amino-3-ethylpiperidin-1-yl)ethanol
CID 81459105
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen (CID 153346561) is 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen is CC.CC.NC1CCN(CCO)C1.[H][H].
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen?
The InChIKey is TVCDDBBKFRETPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.2C2H6.H2/c7-6-1-2-8(5-6)3-4-9;2*1-2;/h6,9H,1-5,7H2;2*1-2H3;1H.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen?
2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen has a molecular weight of 192.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen is sourced from PubChem (CID 153346561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).