4-methyl-3-methylidene-1,5-oxazocane

C8H15NO — CID 123153618

IUPAC4-methyl-3-methylidene-1,5-oxazocane
SMILESC=C1COCCCNC1C
InChIInChI=1S/C8H15NO/c1-7-6-10-5-3-4-9-8(7)2/h8-9H,1,3-6H2,2H3
InChIKeyBPWZIMNDLPNNFJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds

About 4-methyl-3-methylidene-1,5-oxazocane

4-methyl-3-methylidene-1,5-oxazocane (PubChem CID 123153618) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-methyl-3-methylidene-1,5-oxazocane.

Molecular Properties

Compound Name4-methyl-3-methylidene-1,5-oxazocane
PubChem CID123153618
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-methyl-3-methylidene-1,5-oxazocane
SMILESC=C1COCCCNC1C
InChIInChI=1S/C8H15NO/c1-7-6-10-5-3-4-9-8(7)2/h8-9H,1,3-6H2,2H3
InChIKeyBPWZIMNDLPNNFJ-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
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

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2-(ethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
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N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine
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2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
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2-(pent-4-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074875
N-ethyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
CID 103075148
N-[2-(3-methylbut-3-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075149
2-(3-methylbut-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075151
N-tert-butyl-2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
CID 103075152
2-(3-methylbut-3-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103075154
3-Methylidene-1,5-oxazocane
CID 177798648

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidene-1,5-oxazocane?
The IUPAC name of 4-methyl-3-methylidene-1,5-oxazocane (CID 123153618) is 4-methyl-3-methylidene-1,5-oxazocane.
What is the SMILES notation for 4-methyl-3-methylidene-1,5-oxazocane?
The canonical SMILES for 4-methyl-3-methylidene-1,5-oxazocane is C=C1COCCCNC1C.
What is the InChIKey of 4-methyl-3-methylidene-1,5-oxazocane?
The InChIKey is BPWZIMNDLPNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-6-10-5-3-4-9-8(7)2/h8-9H,1,3-6H2,2H3.
What are the key properties of 4-methyl-3-methylidene-1,5-oxazocane?
4-methyl-3-methylidene-1,5-oxazocane has a molecular weight of 141.21 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-1,5-oxazocane is sourced from PubChem (CID 123153618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).