(3S,4R)-N,4-dimethyloxolan-3-amine

C6H13NO — CID 11629595

IUPAC(3S,4R)-N,4-dimethyloxolan-3-amine
SMILESCN[C@@H]1COC[C@@H]1C
InChIInChI=1S/C6H13NO/c1-5-3-8-4-6(5)7-2/h5-7H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyGGHAEUFIBXTEFE-NTSWFWBYSA-N
MW115.18 g/mol
LogP0.24
Rot. Bonds1

About (3S,4R)-N,4-dimethyloxolan-3-amine

(3S,4R)-N,4-dimethyloxolan-3-amine (PubChem CID 11629595) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3S,4R)-N,4-dimethyloxolan-3-amine.

Molecular Properties

Compound Name(3S,4R)-N,4-dimethyloxolan-3-amine
PubChem CID11629595
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3S,4R)-N,4-dimethyloxolan-3-amine
SMILESCN[C@@H]1COC[C@@H]1C
InChIInChI=1S/C6H13NO/c1-5-3-8-4-6(5)7-2/h5-7H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyGGHAEUFIBXTEFE-NTSWFWBYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,4-dimethyloxolan-3-amine?
The IUPAC name of (3S,4R)-N,4-dimethyloxolan-3-amine (CID 11629595) is (3S,4R)-N,4-dimethyloxolan-3-amine.
What is the SMILES notation for (3S,4R)-N,4-dimethyloxolan-3-amine?
The canonical SMILES for (3S,4R)-N,4-dimethyloxolan-3-amine is CN[C@@H]1COC[C@@H]1C.
What is the InChIKey of (3S,4R)-N,4-dimethyloxolan-3-amine?
The InChIKey is GGHAEUFIBXTEFE-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-3-8-4-6(5)7-2/h5-7H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (3S,4R)-N,4-dimethyloxolan-3-amine?
(3S,4R)-N,4-dimethyloxolan-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,4-dimethyloxolan-3-amine is sourced from PubChem (CID 11629595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).