N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine

C8H15NO — CID 84648667

IUPACN-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine
SMILESCNCC1C2CCOCC21
InChIInChI=1S/C8H15NO/c1-9-4-7-6-2-3-10-5-8(6)7/h6-9H,2-5H2,1H3
InChIKeyVLWXLGIRPOSGQH-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.49
Rot. Bonds2

About N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine

N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine (PubChem CID 84648667) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine
PubChem CID84648667
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine
SMILESCNCC1C2CCOCC21
InChIInChI=1S/C8H15NO/c1-9-4-7-6-2-3-10-5-8(6)7/h6-9H,2-5H2,1H3
InChIKeyVLWXLGIRPOSGQH-UHFFFAOYSA-N
XLogP0.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
1-[(7R)-8-bicyclo[5.1.0]octanyl]-N-methylmethanamine
CID 137483176
N-methyl-1-(5-tricyclo[4.2.0.02,4]octanyl)methanamine
CID 166938261
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
N-methyl-1-[2-(oxan-3-yl)cyclopropyl]methanamine
CID 63740963
N-methyl-1-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine
CID 58639098
N,2-dimethyl-2-(oxolan-3-yloxy)propan-1-amine
CID 63558709
(1R,6R,7S)-3-oxabicyclo[4.1.0]heptan-7-ol
CID 178200312
N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
CID 122240134
(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine
CID 129462655
N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine
CID 117266258
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine?
The IUPAC name of N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine (CID 84648667) is N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine is CNCC1C2CCOCC21.
What is the InChIKey of N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine?
The InChIKey is VLWXLGIRPOSGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-4-7-6-2-3-10-5-8(6)7/h6-9H,2-5H2,1H3.
What are the key properties of N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine?
N-methyl-1-(3-oxabicyclo[4.1.0]heptan-7-yl)methanamine has a molecular weight of 141.21 g/mol, XLogP of 0.49, 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[4.1.0]heptan-7-yl)methanamine is sourced from PubChem (CID 84648667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).