(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane

C8H20N2O — CID 171517392

IUPAC(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane
SMILESCC.CN1CCC(N)(CO)C1
InChIInChI=1S/C6H14N2O.C2H6/c1-8-3-2-6(7,4-8)5-9;1-2/h9H,2-5,7H2,1H3;1-2H3
InChIKeyZSGUDRFEMNEONH-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.04
Rot. Bonds1

About (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane

(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane (PubChem CID 171517392) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane.

Molecular Properties

Compound Name(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane
PubChem CID171517392
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane
SMILESCC.CN1CCC(N)(CO)C1
InChIInChI=1S/C6H14N2O.C2H6/c1-8-3-2-6(7,4-8)5-9;1-2/h9H,2-5,7H2,1H3;1-2H3
InChIKeyZSGUDRFEMNEONH-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane?
The IUPAC name of (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane (CID 171517392) is (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane.
What is the SMILES notation for (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane?
The canonical SMILES for (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane is CC.CN1CCC(N)(CO)C1.
What is the InChIKey of (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane?
The InChIKey is ZSGUDRFEMNEONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-8-3-2-6(7,4-8)5-9;1-2/h9H,2-5,7H2,1H3;1-2H3.
What are the key properties of (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane?
(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane has a molecular weight of 160.26 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methylpyrrolidin-3-yl)methanol;ethane is sourced from PubChem (CID 171517392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).