ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine

C13H29NO3 — CID 143992001

IUPACethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine
SMILESCC.CCC1OC(C)(C)OC1C(CNC)OC
InChIInChI=1S/C11H23NO3.C2H6/c1-6-8-10(9(13-5)7-12-4)15-11(2,3)14-8;1-2/h8-10,12H,6-7H2,1-5H3;1-2H3
InChIKeyIHFKLEGFVBOXEX-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.18
Rot. Bonds5

About ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine

ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine (PubChem CID 143992001) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Nameethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine
PubChem CID143992001
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Nameethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine
SMILESCC.CCC1OC(C)(C)OC1C(CNC)OC
InChIInChI=1S/C11H23NO3.C2H6/c1-6-8-10(9(13-5)7-12-4)15-11(2,3)14-8;1-2/h8-10,12H,6-7H2,1-5H3;1-2H3
InChIKeyIHFKLEGFVBOXEX-UHFFFAOYSA-N
XLogP2.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine 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

(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane
CID 149474091
but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)
CID 161369267
methyl 2-[(4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CID 71507461
cyclopentyl-[1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-methylphosphane
CID 146200737
1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
CID 18740051
(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylbutan-2-ol
CID 59901830
methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
CID 53232195
ethane;[(Z,2R)-6-[(4R,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhept-4-enyl]-methoxyphosphane;methane;2-[(4S,5R)-5-[(Z,6R)-7-methoxyphosphanyl-6-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 160854175
2-[(4S,5R,6S)-6-[(2R,3S)-3-methoxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]ethanol
CID 71534405
(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxybut-3-en-2-ol
CID 59901824
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(4R,5S)-4-(bromomethyl)-2,2,5-trimethyl-1,3-dioxolane
CID 12741636

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine?
The IUPAC name of ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine (CID 143992001) is ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine?
The canonical SMILES for ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine is CC.CCC1OC(C)(C)OC1C(CNC)OC.
What is the InChIKey of ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine?
The InChIKey is IHFKLEGFVBOXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.C2H6/c1-6-8-10(9(13-5)7-12-4)15-11(2,3)14-8;1-2/h8-10,12H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine?
ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine has a molecular weight of 247.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 143992001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).