N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine

C8H13NO — CID 146706509

IUPACN-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine
SMILESCNC1CC2C=CC(C1)O2
InChIInChI=1S/C8H13NO/c1-9-6-4-7-2-3-8(5-6)10-7/h2-3,6-9H,4-5H2,1H3
InChIKeyQYPISZREYIUDBM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.69
Rot. Bonds1

About N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine

N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine (PubChem CID 146706509) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine.

Molecular Properties

Compound NameN-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine
PubChem CID146706509
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine
SMILESCNC1CC2C=CC(C1)O2
InChIInChI=1S/C8H13NO/c1-9-6-4-7-2-3-8(5-6)10-7/h2-3,6-9H,4-5H2,1H3
InChIKeyQYPISZREYIUDBM-UHFFFAOYSA-N
XLogP0.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Pentoxy-8-azabicyclo[3.2.1]oct-6-ene
CID 69091731
N-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-amine
CID 117274958
N-cyclohex-3-en-1-yl-2,6-dimethyloxan-4-amine
CID 81851628
8-Oxabicyclo[3.2.1]oct-6-en-3-amine
CID 84716062
N-cyclopent-3-en-1-yl-2-propyloxan-4-amine
CID 104005446
2-(2-Cyclohex-2-en-1-yloxyethyl)piperidine
CID 114620319
3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine
CID 114620321
N-cyclopent-3-en-1-yl-2-methyloxan-4-amine
CID 115898597
2,6-dimethyl-N-[(E)-pent-3-enyl]oxan-4-amine
CID 115907443
N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine
CID 115908321
N-cyclopent-3-en-1-yl-2-ethyloxan-4-amine
CID 116110831
(Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine
CID 117267605

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine?
The IUPAC name of N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine (CID 146706509) is N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine.
What is the SMILES notation for N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine?
The canonical SMILES for N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine is CNC1CC2C=CC(C1)O2.
What is the InChIKey of N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine?
The InChIKey is QYPISZREYIUDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-6-4-7-2-3-8(5-6)10-7/h2-3,6-9H,4-5H2,1H3.
What are the key properties of N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine?
N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine has a molecular weight of 139.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-amine is sourced from PubChem (CID 146706509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).