(1-aminopyrrolidin-3-yl)methanol;ethane

C7H18N2O — CID 156825180

IUPAC(1-aminopyrrolidin-3-yl)methanol;ethane
SMILESCC.NN1CCC(CO)C1
InChIInChI=1S/C5H12N2O.C2H6/c6-7-2-1-5(3-7)4-8;1-2/h5,8H,1-4,6H2;1-2H3
InChIKeyXVMXLXIYIGDKPD-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.20
Rot. Bonds1

About (1-aminopyrrolidin-3-yl)methanol;ethane

(1-aminopyrrolidin-3-yl)methanol;ethane (PubChem CID 156825180) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is (1-aminopyrrolidin-3-yl)methanol;ethane.

Molecular Properties

Compound Name(1-aminopyrrolidin-3-yl)methanol;ethane
PubChem CID156825180
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name(1-aminopyrrolidin-3-yl)methanol;ethane
SMILESCC.NN1CCC(CO)C1
InChIInChI=1S/C5H12N2O.C2H6/c6-7-2-1-5(3-7)4-8;1-2/h5,8H,1-4,6H2;1-2H3
InChIKeyXVMXLXIYIGDKPD-UHFFFAOYSA-N
XLogP0.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-aminopyrrolidin-3-yl)methanol;ethane?
The IUPAC name of (1-aminopyrrolidin-3-yl)methanol;ethane (CID 156825180) is (1-aminopyrrolidin-3-yl)methanol;ethane.
What is the SMILES notation for (1-aminopyrrolidin-3-yl)methanol;ethane?
The canonical SMILES for (1-aminopyrrolidin-3-yl)methanol;ethane is CC.NN1CCC(CO)C1.
What is the InChIKey of (1-aminopyrrolidin-3-yl)methanol;ethane?
The InChIKey is XVMXLXIYIGDKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2H6/c6-7-2-1-5(3-7)4-8;1-2/h5,8H,1-4,6H2;1-2H3.
What are the key properties of (1-aminopyrrolidin-3-yl)methanol;ethane?
(1-aminopyrrolidin-3-yl)methanol;ethane has a molecular weight of 146.23 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminopyrrolidin-3-yl)methanol;ethane is sourced from PubChem (CID 156825180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).