2-methyl-5-methylideneoxan-3-amine

C7H13NO — CID 91189473

IUPAC2-methyl-5-methylideneoxan-3-amine
SMILESC=C1COC(C)C(N)C1
InChIInChI=1S/C7H13NO/c1-5-3-7(8)6(2)9-4-5/h6-7H,1,3-4,8H2,2H3
InChIKeyCBYHTLQZGPZIOK-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds

About 2-methyl-5-methylideneoxan-3-amine

2-methyl-5-methylideneoxan-3-amine (PubChem CID 91189473) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-5-methylideneoxan-3-amine.

Molecular Properties

Compound Name2-methyl-5-methylideneoxan-3-amine
PubChem CID91189473
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-5-methylideneoxan-3-amine
SMILESC=C1COC(C)C(N)C1
InChIInChI=1S/C7H13NO/c1-5-3-7(8)6(2)9-4-5/h6-7H,1,3-4,8H2,2H3
InChIKeyCBYHTLQZGPZIOK-UHFFFAOYSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
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

2-Ethenyl-5-methylideneoxan-3-amine
CID 123404644
(2R,3S)-2-methyl-5-methylideneoxan-3-amine
CID 129045574
(3S)-5-methylideneoxan-3-amine
CID 140663394
(2S,3R)-2-ethyl-4-methylideneoxolan-3-amine
CID 143243317
(2R)-2-methyl-5-methylideneoxan-3-amine
CID 143571364
5-Methylidene-2-propan-2-yloxan-3-amine
CID 170644923
2-(2-Methylidenebutoxy)cyclohexan-1-amine
CID 104285407
rac-(2R,3S)-2-ethenyloxan-3-amine hydrochloride
CID 121552623
rac-(2R,3S)-2-ethenyloxan-3-amine
CID 121552624
2-Ethenyloxan-3-amine hydrochloride
CID 122236366
2-Ethenyloxan-3-amine
CID 122236367
(2S,3S)-2-ethenyloxan-3-amine
CID 124709869

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylideneoxan-3-amine?
The IUPAC name of 2-methyl-5-methylideneoxan-3-amine (CID 91189473) is 2-methyl-5-methylideneoxan-3-amine.
What is the SMILES notation for 2-methyl-5-methylideneoxan-3-amine?
The canonical SMILES for 2-methyl-5-methylideneoxan-3-amine is C=C1COC(C)C(N)C1.
What is the InChIKey of 2-methyl-5-methylideneoxan-3-amine?
The InChIKey is CBYHTLQZGPZIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-7(8)6(2)9-4-5/h6-7H,1,3-4,8H2,2H3.
What are the key properties of 2-methyl-5-methylideneoxan-3-amine?
2-methyl-5-methylideneoxan-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylideneoxan-3-amine is sourced from PubChem (CID 91189473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).