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

C17H36N2O4 — CID 166914665

IUPACN,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCOCCOCCOCCN(C)CCN(C)C
InChIInChI=1S/C17H36N2O4/c1-17(2)16-23-15-14-22-13-12-21-11-10-20-9-8-19(5)7-6-18(3)4/h1,6-16H2,2-5H3
InChIKeyNZNXSAYBBNQFBW-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.12
Rot. Bonds17

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

N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 166914665) has the molecular formula C17H36N2O4 and a molecular weight of 332.49 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
PubChem CID166914665
Molecular FormulaC17H36N2O4
Molecular Weight332.49 g/mol
Exact Mass332.27
IUPAC NameN,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCOCCOCCOCCN(C)CCN(C)C
InChIInChI=1S/C17H36N2O4/c1-17(2)16-23-15-14-22-13-12-21-11-10-20-9-8-19(5)7-6-18(3)4/h1,6-16H2,2-5H3
InChIKeyNZNXSAYBBNQFBW-UHFFFAOYSA-N
XLogP1.12
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.12
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine (CID 166914665) is N,N,N'-trimethyl-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,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine is C=C(C)COCCOCCOCCOCCN(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is NZNXSAYBBNQFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O4/c1-17(2)16-23-15-14-22-13-12-21-11-10-20-9-8-19(5)7-6-18(3)4/h1,6-16H2,2-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 332.49 g/mol, XLogP of 1.12, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 166914665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).