N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine

C16H34N2O4 — CID 163715916

IUPACN',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCOCCOCCOCCNCCN(C)C
InChIInChI=1S/C16H34N2O4/c1-16(2)15-22-14-13-21-12-11-20-10-9-19-8-6-17-5-7-18(3)4/h17H,1,5-15H2,2-4H3
InChIKeyKNHYXYNLEIQJFC-UHFFFAOYSA-N
MW318.46 g/mol
LogP0.78
Rot. Bonds17

About N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 163715916) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
PubChem CID163715916
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC NameN',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCOCCOCCOCCNCCN(C)C
InChIInChI=1S/C16H34N2O4/c1-16(2)15-22-14-13-21-12-11-20-10-9-19-8-6-17-5-7-18(3)4/h17H,1,5-15H2,2-4H3
InChIKeyKNHYXYNLEIQJFC-UHFFFAOYSA-N
XLogP0.78
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine
CID 143148551
1-[2-[2-[2-[2-[2-[(2-Methylpropan-2-yl)oxy]prop-2-enoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 166558068
N'-(4-aminobutyl)-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]butane-1,4-diamine
CID 166677169
N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
CID 166914665
4,13-Diethyl-18-methylidene-1,7,10,16-tetraoxa-4,13-diazacyclononadecane
CID 21811929
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 113589378
N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466320
2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467166
2-(2-methoxyethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467373
N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114467704
N-[2-(2-methylprop-2-enoxy)ethyl]-2-morpholin-4-ylethanamine
CID 114467737
N',N'-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114467742

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine (CID 163715916) is N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine is C=C(C)COCCOCCOCCOCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is KNHYXYNLEIQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4/c1-16(2)15-22-14-13-21-12-11-20-10-9-19-8-6-17-5-7-18(3)4/h17H,1,5-15H2,2-4H3.
What are the key properties of N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 318.46 g/mol, XLogP of 0.78, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 163715916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).