N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine

C11H22N2O2 — CID 62560104

IUPACN',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(CCOC)CCOC
InChIInChI=1S/C11H22N2O2/c1-4-5-12-6-7-13(8-10-14-2)9-11-15-3/h1,12H,5-11H2,2-3H3
InChIKeyKGHMJCIZBWLKKN-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.20
Rot. Bonds10

About N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine

N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 62560104) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID62560104
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(CCOC)CCOC
InChIInChI=1S/C11H22N2O2/c1-4-5-12-6-7-13(8-10-14-2)9-11-15-3/h1,12H,5-11H2,2-3H3
InChIKeyKGHMJCIZBWLKKN-UHFFFAOYSA-N
XLogP-0.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62462476
N',N'-bis(2-methoxyethyl)-N-prop-2-enylethane-1,2-diamine
CID 62561595
N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
3-[2-[bis(2-methoxyethyl)amino]ethylamino]propanoic acid
CID 166790089
N-(2-butoxyethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62559728
2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62569259
N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62561222
N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
CID 62574418
N,N'-bis(2-methoxyethyl)-N'-prop-2-enylethane-1,2-diamine
CID 103339442
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
CID 79271047
N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 61418451
N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286437

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine (CID 62560104) is N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNCCN(CCOC)CCOC.
What is the InChIKey of N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is KGHMJCIZBWLKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-12-6-7-13(8-10-14-2)9-11-15-3/h1,12H,5-11H2,2-3H3.
What are the key properties of N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine?
N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 214.31 g/mol, XLogP of -0.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 62560104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).