(3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine

C10H18N2O — CID 167501417

IUPAC(3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine
SMILESCN1CC[C@H](NC2C3COCC32)C1
InChIInChI=1S/C10H18N2O/c1-12-3-2-7(4-12)11-10-8-5-13-6-9(8)10/h7-11H,2-6H2,1H3/t7-,8?,9?,10?/m0/s1
InChIKeyXJSXTOBCAGXHAB-KJTVYLTBSA-N
MW182.27 g/mol
LogP-0.08
Rot. Bonds2

About (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine

(3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine (PubChem CID 167501417) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine
PubChem CID167501417
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine
SMILESCN1CC[C@H](NC2C3COCC32)C1
InChIInChI=1S/C10H18N2O/c1-12-3-2-7(4-12)11-10-8-5-13-6-9(8)10/h7-11H,2-6H2,1H3/t7-,8?,9?,10?/m0/s1
InChIKeyXJSXTOBCAGXHAB-KJTVYLTBSA-N
XLogP-0.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine (CID 167501417) is (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine is CN1CC[C@H](NC2C3COCC32)C1.
What is the InChIKey of (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine?
The InChIKey is XJSXTOBCAGXHAB-KJTVYLTBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-3-2-7(4-12)11-10-8-5-13-6-9(8)10/h7-11H,2-6H2,1H3/t7-,8?,9?,10?/m0/s1.
What are the key properties of (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine?
(3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine has a molecular weight of 182.27 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrrolidin-3-amine is sourced from PubChem (CID 167501417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).