[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride

C6H14ClNO — CID 171921112

IUPAC[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride
SMILESC[C@H]1CCO[C@H]1CN.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-2-3-8-6(5)4-7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyYPEMJTNPQGHUMU-GEMLJDPKSA-N
MW151.64 g/mol
LogP0.79
Rot. Bonds1

About [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride

[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride (PubChem CID 171921112) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride
PubChem CID171921112
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride
SMILESC[C@H]1CCO[C@H]1CN.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-2-3-8-6(5)4-7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyYPEMJTNPQGHUMU-GEMLJDPKSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride 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,3S)-2-(bromomethyl)-3-methyloxolane
CID 155905802
2-[(2R,3R)-3-methyloxolan-2-yl]ethanol
CID 134950887
(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 104868012
(2R,3R)-2-(aminomethyl)-N,N-diethyloxolan-3-amine
CID 165491409
[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine
CID 163867395
(3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
tert-butyl-dimethyl-[[(2R,3R)-3-methyloxolan-2-yl]methoxy]silane
CID 102031042
(2-propyloxolan-3-yl)methanamine
CID 79368036
dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane
CID 166912694
[(2S,4R)-2-methyloxan-4-yl]methanamine
CID 95335813
ethane;2-ethyl-3-methyloxane
CID 166536348
methanol;(2S,3R)-2,3,4-trimethyloxane
CID 145399685

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride (CID 171921112) is [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride is C[C@H]1CCO[C@H]1CN.Cl.
What is the InChIKey of [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride?
The InChIKey is YPEMJTNPQGHUMU-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-5-2-3-8-6(5)4-7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m0./s1.
What are the key properties of [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride?
[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 171921112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).