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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Related Compounds

N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
N'-butyl-N'-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62575465
N'-ethyl-N'-(2-ethylbutyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62574596
N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 62597133
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467162
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482433
N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
N-(2-butoxyethyl)-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554321
N-(3-chloro-4-methoxybutyl)-N',N'-diethylethane-1,2-diamine
CID 106242456
N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 62575989
N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
CID 112588610

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).