N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine

C12H25NO2 — CID 116521359

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCC1CCC(C)(C)O1
InChIInChI=1S/C12H25NO2/c1-5-14-9-10(2)13-8-11-6-7-12(3,4)15-11/h10-11,13H,5-9H2,1-4H3
InChIKeyFVSRZZAEEXQUIM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds6

About N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine (PubChem CID 116521359) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
PubChem CID116521359
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCC1CCC(C)(C)O1
InChIInChI=1S/C12H25NO2/c1-5-14-9-10(2)13-8-11-6-7-12(3,4)15-11/h10-11,13H,5-9H2,1-4H3
InChIKeyFVSRZZAEEXQUIM-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine 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

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
CID 116521320
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 116521719
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
1-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116524076
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-ethoxypropan-2-amine
CID 115717570
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine (CID 116521359) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine is CCOCC(C)NCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine?
The InChIKey is FVSRZZAEEXQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-14-9-10(2)13-8-11-6-7-12(3,4)15-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 116521359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).