(4R)-3-methyloxan-4-amine

C6H13NO — CID 68625130

IUPAC(4R)-3-methyloxan-4-amine
SMILESCC1COCC[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-PRJDIBJQSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds

About (4R)-3-methyloxan-4-amine

(4R)-3-methyloxan-4-amine (PubChem CID 68625130) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (4R)-3-methyloxan-4-amine.

Molecular Properties

Compound Name(4R)-3-methyloxan-4-amine
PubChem CID68625130
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(4R)-3-methyloxan-4-amine
SMILESCC1COCC[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-PRJDIBJQSA-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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Related Compounds

CID 419223
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CID 16761713
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CID 21054631
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CID 58368062
CID 58368062
CID 59657894
CID 59657894
CID 67033300
CID 67033300
CID 67385715
CID 67385715
CID 137965827
CID 137965827
CID 165870801
CID 165870801
CID 6991942
CID 6991942
CID 21054638
CID 21054638
CID 71648095
CID 71648095

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyloxan-4-amine?
The IUPAC name of (4R)-3-methyloxan-4-amine (CID 68625130) is (4R)-3-methyloxan-4-amine.
What is the SMILES notation for (4R)-3-methyloxan-4-amine?
The canonical SMILES for (4R)-3-methyloxan-4-amine is CC1COCC[C@H]1N.
What is the InChIKey of (4R)-3-methyloxan-4-amine?
The InChIKey is WFVKNHIDEGYGPD-PRJDIBJQSA-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 (4R)-3-methyloxan-4-amine?
(4R)-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 (4R)-3-methyloxan-4-amine is sourced from PubChem (CID 68625130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).