(3S,4S)-3-methyloxan-4-amine

C6H13NO — CID 55285641

IUPAC(3S,4S)-3-methyloxan-4-amine
SMILESC[C@@H]1COCC[C@@H]1N
InChIInChI=1S/C6H13NO/c1-5-4-8-3-2-6(5)7/h5-6H,2-4,7H2,1H3/t5-,6+/m1/s1
InChIKeyWFVKNHIDEGYGPD-RITPCOANSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds

About (3S,4S)-3-methyloxan-4-amine

(3S,4S)-3-methyloxan-4-amine (PubChem CID 55285641) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3S,4S)-3-methyloxan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-methyloxan-4-amine
PubChem CID55285641
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3S,4S)-3-methyloxan-4-amine
SMILESC[C@@H]1COCC[C@@H]1N
InChIInChI=1S/C6H13NO/c1-5-4-8-3-2-6(5)7/h5-6H,2-4,7H2,1H3/t5-,6+/m1/s1
InChIKeyWFVKNHIDEGYGPD-RITPCOANSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyloxan-4-amine?
The IUPAC name of (3S,4S)-3-methyloxan-4-amine (CID 55285641) is (3S,4S)-3-methyloxan-4-amine.
What is the SMILES notation for (3S,4S)-3-methyloxan-4-amine?
The canonical SMILES for (3S,4S)-3-methyloxan-4-amine is C[C@@H]1COCC[C@@H]1N.
What is the InChIKey of (3S,4S)-3-methyloxan-4-amine?
The InChIKey is WFVKNHIDEGYGPD-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-4-8-3-2-6(5)7/h5-6H,2-4,7H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3S,4S)-3-methyloxan-4-amine?
(3S,4S)-3-methyloxan-4-amine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyloxan-4-amine is sourced from PubChem (CID 55285641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).