N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine

C9H15NO — CID 20679330

IUPACN-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine
SMILESCNCC1C2C=CC(O2)C1C
InChIInChI=1S/C9H15NO/c1-6-7(5-10-2)9-4-3-8(6)11-9/h3-4,6-10H,5H2,1-2H3
InChIKeyXBDBHDZMXLIYCV-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.80
Rot. Bonds2

About N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine

N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine (PubChem CID 20679330) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine
PubChem CID20679330
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine
SMILESCNCC1C2C=CC(O2)C1C
InChIInChI=1S/C9H15NO/c1-6-7(5-10-2)9-4-3-8(6)11-9/h3-4,6-10H,5H2,1-2H3
InChIKeyXBDBHDZMXLIYCV-UHFFFAOYSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-1-((1R,2S,4R)-7-oxabicyclo(2.2.1)hept-5-en-2-yl)methanamine
CID 129370300
1-(7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-2-ol
CID 20649869
7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine
CID 55285099
[(1S,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
CID 55288757
[(1S,2S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
CID 55288758
10-Oxa-4-azatricyclo[5.2.1.0,2,6]dec-8-ene
CID 90412226
N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine;5-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 91042879
3-(aminomethyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-amine
CID 153733545
[(2R)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
CID 155191267
[(2S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
CID 155191269
molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
CID 155702835
ethane;molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)ethanamine
CID 163239247

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine (CID 20679330) is N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine is CNCC1C2C=CC(O2)C1C.
What is the InChIKey of N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine?
The InChIKey is XBDBHDZMXLIYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-7(5-10-2)9-4-3-8(6)11-9/h3-4,6-10H,5H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine?
N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine has a molecular weight of 153.22 g/mol, XLogP of 0.80, 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-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine is sourced from PubChem (CID 20679330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).