N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine

C13H30N2O — CID 106453519

IUPACN-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)COCCN(C)CCNC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-12(2)11-16-10-9-15(6)8-7-14-13(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyGNLKIMQILJKAGA-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds8

About N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine

N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine (PubChem CID 106453519) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
PubChem CID106453519
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)COCCN(C)CCNC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-12(2)11-16-10-9-15(6)8-7-14-13(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyGNLKIMQILJKAGA-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
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-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387189
N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457239
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine
CID 82928824
N-tert-butyl-N'-methyl-N'-nonylethane-1,2-diamine
CID 63526984
N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
CID 62594005
2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol
CID 106452373
N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine
CID 166168806
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222
N-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethyl]-N,2-dimethylpropanamide
CID 176777052
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
CID 106450923

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine (CID 106453519) is N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine is CC(C)COCCN(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine?
The InChIKey is GNLKIMQILJKAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(2)11-16-10-9-15(6)8-7-14-13(3,4)5/h12,14H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 106453519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).