(6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine

C10H17NO — CID 177194198

IUPAC(6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine
SMILESCCC1C2OC(C=C2CN)C1C
InChIInChI=1S/C10H17NO/c1-3-8-6(2)9-4-7(5-11)10(8)12-9/h4,6,8-10H,3,5,11H2,1-2H3
InChIKeyLJMQUGKUOUSOJF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.31
Rot. Bonds2

About (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine

(6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine (PubChem CID 177194198) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine.

Molecular Properties

Compound Name(6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine
PubChem CID177194198
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine
SMILESCCC1C2OC(C=C2CN)C1C
InChIInChI=1S/C10H17NO/c1-3-8-6(2)9-4-7(5-11)10(8)12-9/h4,6,8-10H,3,5,11H2,1-2H3
InChIKeyLJMQUGKUOUSOJF-UHFFFAOYSA-N
XLogP1.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine?
The IUPAC name of (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine (CID 177194198) is (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine.
What is the SMILES notation for (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine?
The canonical SMILES for (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine is CCC1C2OC(C=C2CN)C1C.
What is the InChIKey of (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine?
The InChIKey is LJMQUGKUOUSOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8-6(2)9-4-7(5-11)10(8)12-9/h4,6,8-10H,3,5,11H2,1-2H3.
What are the key properties of (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine?
(6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine has a molecular weight of 167.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-5-methyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methanamine is sourced from PubChem (CID 177194198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).