N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine

C7H13NO — CID 121207427

IUPACN-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESCNCC12COCC1C2
InChIInChI=1S/C7H13NO/c1-8-4-7-2-6(7)3-9-5-7/h6,8H,2-5H2,1H3
InChIKeyUNHSHGAHRCZLTG-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.24
Rot. Bonds2

About N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine

N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine (PubChem CID 121207427) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
PubChem CID121207427
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESCNCC12COCC1C2
InChIInChI=1S/C7H13NO/c1-8-4-7-2-6(7)3-9-5-7/h6,8H,2-5H2,1H3
InChIKeyUNHSHGAHRCZLTG-UHFFFAOYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine?
The IUPAC name of N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine (CID 121207427) is N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine is CNCC12COCC1C2.
What is the InChIKey of N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine?
The InChIKey is UNHSHGAHRCZLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-7-2-6(7)3-9-5-7/h6,8H,2-5H2,1H3.
What are the key properties of N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine?
N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine has a molecular weight of 127.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine is sourced from PubChem (CID 121207427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).