N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine

C12H26N2O2 — CID 62556998

IUPACN'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CCOC)C(C)COC
InChIInChI=1S/C12H26N2O2/c1-5-6-13-7-8-14(9-10-15-3)12(2)11-16-4/h5,12-13H,1,6-11H2,2-4H3
InChIKeyIRZVHXIEOJYVHC-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.75
Rot. Bonds11

About N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine

N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 62556998) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
PubChem CID62556998
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CCOC)C(C)COC
InChIInChI=1S/C12H26N2O2/c1-5-6-13-7-8-14(9-10-15-3)12(2)11-16-4/h5,12-13H,1,6-11H2,2-4H3
InChIKeyIRZVHXIEOJYVHC-UHFFFAOYSA-N
XLogP0.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis(2-methoxyethyl)-N-prop-2-enylethane-1,2-diamine
CID 62561595
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
CID 62574549
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
2-N-(2-methoxyethyl)-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 82953229
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62569622
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(prop-2-enylamino)ethyl]propane-1,2-diamine
CID 103189471
N-(4-fluorophenyl)-N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62558387
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 115475131
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 65257196

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine (CID 62556998) is N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(CCOC)C(C)COC.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is IRZVHXIEOJYVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-6-13-7-8-14(9-10-15-3)12(2)11-16-4/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.75, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62556998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).