1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne

C13H28N2O2 — CID 144530363

IUPAC1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne
SMILESC#CC.COCCN(C)C(C)N(C)CCOC
InChIInChI=1S/C10H24N2O2.C3H4/c1-10(11(2)6-8-13-4)12(3)7-9-14-5;1-3-2/h10H,6-9H2,1-5H3;1H,2H3
InChIKeyJSCZOPGBTQOEKO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.13
Rot. Bonds8

About 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne

1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne (PubChem CID 144530363) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne.

Molecular Properties

Compound Name1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne
PubChem CID144530363
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne
SMILESC#CC.COCCN(C)C(C)N(C)CCOC
InChIInChI=1S/C10H24N2O2.C3H4/c1-10(11(2)6-8-13-4)12(3)7-9-14-5;1-3-2/h10H,6-9H2,1-5H3;1H,2H3
InChIKeyJSCZOPGBTQOEKO-UHFFFAOYSA-N
XLogP1.13
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne with MolForge

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Related Compounds

ethene;N-(2-methoxyethyl)-N-methylpropan-2-amine
CID 142497540
2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62569259
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine
CID 79409704
3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid
CID 79407111
2-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62449333
CID 58998146
CID 58998146
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63008518
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
CID 18426364

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne?
The IUPAC name of 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne (CID 144530363) is 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne.
What is the SMILES notation for 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne?
The canonical SMILES for 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne is C#CC.COCCN(C)C(C)N(C)CCOC.
What is the InChIKey of 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne?
The InChIKey is JSCZOPGBTQOEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2.C3H4/c1-10(11(2)6-8-13-4)12(3)7-9-14-5;1-3-2/h10H,6-9H2,1-5H3;1H,2H3.
What are the key properties of 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne?
1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne has a molecular weight of 244.38 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne is sourced from PubChem (CID 144530363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).