2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C12H27N3O — CID 103189582

IUPAC2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1COCC1N)C(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-5-15(10(2)6-14(3)4)7-11-8-16-9-12(11)13/h10-12H,5-9,13H2,1-4H3
InChIKeyMEAZTTWBCCLYEK-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.23
Rot. Bonds6

About 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189582) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189582
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1COCC1N)C(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-5-15(10(2)6-14(3)4)7-11-8-16-9-12(11)13/h10-12H,5-9,13H2,1-4H3
InChIKeyMEAZTTWBCCLYEK-UHFFFAOYSA-N
XLogP0.23
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

4-[(dimethylamino)methyl]oxolan-3-amine
CID 66237318
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine
CID 112661242
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191308
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
CID 103188603
4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine
CID 66236915
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66236322
2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191271
N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
CID 103187905
4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
CID 66236926

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189582) is 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC1COCC1N)C(C)CN(C)C.
What is the InChIKey of 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is MEAZTTWBCCLYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-15(10(2)6-14(3)4)7-11-8-16-9-12(11)13/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).