(3S)-5-methylideneoxan-3-amine

C6H11NO — CID 140663394

IUPAC(3S)-5-methylideneoxan-3-amine
SMILESC=C1COC[C@@H](N)C1
InChIInChI=1S/C6H11NO/c1-5-2-6(7)4-8-3-5/h6H,1-4,7H2/t6-/m0/s1
InChIKeyAPQBLEVJXADDIX-LURJTMIESA-N
MW113.16 g/mol
LogP0.29
Rot. Bonds

About (3S)-5-methylideneoxan-3-amine

(3S)-5-methylideneoxan-3-amine (PubChem CID 140663394) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3S)-5-methylideneoxan-3-amine.

Molecular Properties

Compound Name(3S)-5-methylideneoxan-3-amine
PubChem CID140663394
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3S)-5-methylideneoxan-3-amine
SMILESC=C1COC[C@@H](N)C1
InChIInChI=1S/C6H11NO/c1-5-2-6(7)4-8-3-5/h6H,1-4,7H2/t6-/m0/s1
InChIKeyAPQBLEVJXADDIX-LURJTMIESA-N
XLogP0.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.29
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

(4R)-3-methylideneoxan-4-amine
CID 68190854
(2S,3S)-5-methylideneoxane-2,3-diamine
CID 89762592
2-Methyl-5-methylideneoxan-3-amine
CID 91189473
2-Ethenyl-5-methylideneoxan-3-amine
CID 123404644
(2R,3S)-2-methyl-5-methylideneoxan-3-amine
CID 129045574
(2R)-2-methyl-5-methylideneoxan-3-amine
CID 143571364
3-Methylene-tetrahydro-pyran-4-ylamine
CID 77421571
4-(1-Aminoethyl)-5-methylideneoxan-3-amine
CID 153388189
5-Methylideneoxan-3-amine
CID 170644525

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methylideneoxan-3-amine?
The IUPAC name of (3S)-5-methylideneoxan-3-amine (CID 140663394) is (3S)-5-methylideneoxan-3-amine.
What is the SMILES notation for (3S)-5-methylideneoxan-3-amine?
The canonical SMILES for (3S)-5-methylideneoxan-3-amine is C=C1COC[C@@H](N)C1.
What is the InChIKey of (3S)-5-methylideneoxan-3-amine?
The InChIKey is APQBLEVJXADDIX-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-6(7)4-8-3-5/h6H,1-4,7H2/t6-/m0/s1.
What are the key properties of (3S)-5-methylideneoxan-3-amine?
(3S)-5-methylideneoxan-3-amine has a molecular weight of 113.16 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methylideneoxan-3-amine is sourced from PubChem (CID 140663394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).