N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine

C12H28N2O — CID 62599740

IUPACN',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-6-14(7-2)10-8-13-9-11-15-12(3,4)5/h13H,6-11H2,1-5H3
InChIKeyXVCSWYPJJXFBNF-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds8

About N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine (PubChem CID 62599740) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
PubChem CID62599740
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-6-14(7-2)10-8-13-9-11-15-12(3,4)5/h13H,6-11H2,1-5H3
InChIKeyXVCSWYPJJXFBNF-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine (CID 62599740) is N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine is CCN(CC)CCNCCOC(C)(C)C.
What is the InChIKey of N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine?
The InChIKey is XVCSWYPJJXFBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-14(7-2)10-8-13-9-11-15-12(3,4)5/h13H,6-11H2,1-5H3.
What are the key properties of N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62599740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).