N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine

C10H20N2O — CID 43610263

IUPACN-methyl-1-(oxan-4-yl)pyrrolidin-3-amine
SMILESCNC1CCN(C2CCOCC2)C1
InChIInChI=1S/C10H20N2O/c1-11-9-2-5-12(8-9)10-3-6-13-7-4-10/h9-11H,2-8H2,1H3
InChIKeyZCHSZQCYPAIJHE-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds2

About N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine

N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine (PubChem CID 43610263) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)pyrrolidin-3-amine
PubChem CID43610263
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-1-(oxan-4-yl)pyrrolidin-3-amine
SMILESCNC1CCN(C2CCOCC2)C1
InChIInChI=1S/C10H20N2O/c1-11-9-2-5-12(8-9)10-3-6-13-7-4-10/h9-11H,2-8H2,1H3
InChIKeyZCHSZQCYPAIJHE-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine (CID 43610263) is N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine is CNC1CCN(C2CCOCC2)C1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine?
The InChIKey is ZCHSZQCYPAIJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-9-2-5-12(8-9)10-3-6-13-7-4-10/h9-11H,2-8H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine?
N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 43610263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).