(4-aminopyrrolidin-2-yl)methanol;ethane

C7H18N2O — CID 178036634

IUPAC(4-aminopyrrolidin-2-yl)methanol;ethane
SMILESCC.NC1CNC(CO)C1
InChIInChI=1S/C5H12N2O.C2H6/c6-4-1-5(3-8)7-2-4;1-2/h4-5,7-8H,1-3,6H2;1-2H3
InChIKeyGLPOLHHAHUGFCX-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.31
Rot. Bonds1

About (4-aminopyrrolidin-2-yl)methanol;ethane

(4-aminopyrrolidin-2-yl)methanol;ethane (PubChem CID 178036634) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is (4-aminopyrrolidin-2-yl)methanol;ethane.

Molecular Properties

Compound Name(4-aminopyrrolidin-2-yl)methanol;ethane
PubChem CID178036634
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name(4-aminopyrrolidin-2-yl)methanol;ethane
SMILESCC.NC1CNC(CO)C1
InChIInChI=1S/C5H12N2O.C2H6/c6-4-1-5(3-8)7-2-4;1-2/h4-5,7-8H,1-3,6H2;1-2H3
InChIKeyGLPOLHHAHUGFCX-UHFFFAOYSA-N
XLogP-0.31
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
CID 117270746
[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
CID 89351797
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
[(2S)-4-methylsulfanylpyrrolidin-2-yl]methanol
CID 88973819
[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol
CID 89000503
1-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone
CID 167202980
[4-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270406
aziridin-2-ylmethanol
CID 11286436
[4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270876
(3R,4S,5S,7R)-7-(hydroxymethyl)azepane-3,4,5-triol
CID 122377218

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrrolidin-2-yl)methanol;ethane?
The IUPAC name of (4-aminopyrrolidin-2-yl)methanol;ethane (CID 178036634) is (4-aminopyrrolidin-2-yl)methanol;ethane.
What is the SMILES notation for (4-aminopyrrolidin-2-yl)methanol;ethane?
The canonical SMILES for (4-aminopyrrolidin-2-yl)methanol;ethane is CC.NC1CNC(CO)C1.
What is the InChIKey of (4-aminopyrrolidin-2-yl)methanol;ethane?
The InChIKey is GLPOLHHAHUGFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2H6/c6-4-1-5(3-8)7-2-4;1-2/h4-5,7-8H,1-3,6H2;1-2H3.
What are the key properties of (4-aminopyrrolidin-2-yl)methanol;ethane?
(4-aminopyrrolidin-2-yl)methanol;ethane has a molecular weight of 146.23 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrrolidin-2-yl)methanol;ethane is sourced from PubChem (CID 178036634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).