2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine

C7H16N2O — CID 167741646

IUPAC2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine
SMILESCC1(C)N[C@@H](CCN)CO1
InChIInChI=1S/C7H16N2O/c1-7(2)9-6(3-4-8)5-10-7/h6,9H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyXXPNWQWDBIUPEV-LURJTMIESA-N
MW144.22 g/mol
LogP0.06
Rot. Bonds2

About 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine

2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine (PubChem CID 167741646) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine
PubChem CID167741646
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine
SMILESCC1(C)N[C@@H](CCN)CO1
InChIInChI=1S/C7H16N2O/c1-7(2)9-6(3-4-8)5-10-7/h6,9H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyXXPNWQWDBIUPEV-LURJTMIESA-N
XLogP0.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine 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

(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine
CID 174697088
4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine
CID 167029059
[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol
CID 97178926
1-(2,2-dimethyl-1,3-oxazolidin-4-yl)-N-methylmethanamine
CID 21061249
2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine
CID 18720150
(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine
CID 130656460
(4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine
CID 130730837
5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
CID 141327905
2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine
CID 115062827
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 24804857
2,4-diethyl-2-methyl-1,3-oxazolidine
CID 55300109

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine?
The IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine (CID 167741646) is 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine is CC1(C)N[C@@H](CCN)CO1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine?
The InChIKey is XXPNWQWDBIUPEV-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2)9-6(3-4-8)5-10-7/h6,9H,3-5,8H2,1-2H3/t6-/m0/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine?
2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine has a molecular weight of 144.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine is sourced from PubChem (CID 167741646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).