N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine

C22H48N2O4 — CID 88535327

IUPACN,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine
SMILESCC(C)COCN(CCN(COCC(C)C)COCC(C)C)COCC(C)C
InChIInChI=1S/C22H48N2O4/c1-19(2)11-25-15-23(16-26-12-20(3)4)9-10-24(17-27-13-21(5)6)18-28-14-22(7)8/h19-22H,9-18H2,1-8H3
InChIKeyMDFQRCDVMVMDBH-UHFFFAOYSA-N
MW404.64 g/mol
LogP4.11
Rot. Bonds19

About N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine

N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine (PubChem CID 88535327) has the molecular formula C22H48N2O4 and a molecular weight of 404.64 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine
PubChem CID88535327
Molecular FormulaC22H48N2O4
Molecular Weight404.64 g/mol
Exact Mass404.36
IUPAC NameN,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine
SMILESCC(C)COCN(CCN(COCC(C)C)COCC(C)C)COCC(C)C
InChIInChI=1S/C22H48N2O4/c1-19(2)11-25-15-23(16-26-12-20(3)4)9-10-24(17-27-13-21(5)6)18-28-14-22(7)8/h19-22H,9-18H2,1-8H3
InChIKeyMDFQRCDVMVMDBH-UHFFFAOYSA-N
XLogP4.11
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine (CID 88535327) is N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine is CC(C)COCN(CCN(COCC(C)C)COCC(C)C)COCC(C)C.
What is the InChIKey of N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine?
The InChIKey is MDFQRCDVMVMDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O4/c1-19(2)11-25-15-23(16-26-12-20(3)4)9-10-24(17-27-13-21(5)6)18-28-14-22(7)8/h19-22H,9-18H2,1-8H3.
What are the key properties of N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine?
N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine has a molecular weight of 404.64 g/mol, XLogP of 4.11, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-methylpropoxymethyl)ethane-1,2-diamine is sourced from PubChem (CID 88535327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).