[(2R,4S)-4-methyloxolan-2-yl]methanamine

C6H13NO — CID 124578103

IUPAC[(2R,4S)-4-methyloxolan-2-yl]methanamine
SMILESC[C@@H]1CO[C@@H](CN)C1
InChIInChI=1S/C6H13NO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyUEKXFVCDYQNMAC-NTSWFWBYSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds1

About [(2R,4S)-4-methyloxolan-2-yl]methanamine

[(2R,4S)-4-methyloxolan-2-yl]methanamine (PubChem CID 124578103) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(2R,4S)-4-methyloxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,4S)-4-methyloxolan-2-yl]methanamine
PubChem CID124578103
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(2R,4S)-4-methyloxolan-2-yl]methanamine
SMILESC[C@@H]1CO[C@@H](CN)C1
InChIInChI=1S/C6H13NO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyUEKXFVCDYQNMAC-NTSWFWBYSA-N
XLogP0.37
TPSA35.25 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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,4S)-4-methyloxolan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-2-(iodomethyl)-4-methyloxolane
CID 125455824
(2S,4R)-2-(methoxymethyl)-4-methyloxolane
CID 146559112
2-butyl-4-methyloxolane
CID 15370435
(4R)-2-(2-methoxyethyl)-4-methyloxolane
CID 145228460
[(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine
CID 125457327
oxiran-2-ylmethanamine;trihydrochloride
CID 175135913
[(2R,4S)-4-cyclopentyloxolan-2-yl]methanamine
CID 125456482
2-fluoro-4-methyloxolane
CID 57195800
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane
CID 170135732
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
CID 123400245
2,5-dimethyloxan-3-amine
CID 20600657

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-methyloxolan-2-yl]methanamine?
The IUPAC name of [(2R,4S)-4-methyloxolan-2-yl]methanamine (CID 124578103) is [(2R,4S)-4-methyloxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,4S)-4-methyloxolan-2-yl]methanamine?
The canonical SMILES for [(2R,4S)-4-methyloxolan-2-yl]methanamine is C[C@@H]1CO[C@@H](CN)C1.
What is the InChIKey of [(2R,4S)-4-methyloxolan-2-yl]methanamine?
The InChIKey is UEKXFVCDYQNMAC-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1.
What are the key properties of [(2R,4S)-4-methyloxolan-2-yl]methanamine?
[(2R,4S)-4-methyloxolan-2-yl]methanamine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-methyloxolan-2-yl]methanamine is sourced from PubChem (CID 124578103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).