(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine

C9H20N2O — CID 22466049

IUPAC(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine
SMILESCC1(C)CC(CN)C(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H20N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7,11H,5-6,10H2,1-4H3
InChIKeyPQVLYTITPACMMU-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.10
Rot. Bonds1

About (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine

(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine (PubChem CID 22466049) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine.

Molecular Properties

Compound Name(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine
PubChem CID22466049
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine
SMILESCC1(C)CC(CN)C(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H20N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7,11H,5-6,10H2,1-4H3
InChIKeyPQVLYTITPACMMU-UHFFFAOYSA-N
XLogP-0.10
TPSA53.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine?
The IUPAC name of (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine (CID 22466049) is (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine.
What is the SMILES notation for (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine?
The canonical SMILES for (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine is CC1(C)CC(CN)C(C)(C)[NH+]1[O-].
What is the InChIKey of (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine?
The InChIKey is PQVLYTITPACMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7,11H,5-6,10H2,1-4H3.
What are the key properties of (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine?
(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine has a molecular weight of 172.27 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)methanamine is sourced from PubChem (CID 22466049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).