N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine

C9H22N2O — CID 54806858

IUPACN'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNC(C)(C)C
InChIInChI=1S/C9H22N2O/c1-9(2,3)11-6-5-10-7-8-12-4/h10-11H,5-8H2,1-4H3
InChIKeyWHUTUDWTVQMJEL-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.61
Rot. Bonds6

About N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine

N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 54806858) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID54806858
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNC(C)(C)C
InChIInChI=1S/C9H22N2O/c1-9(2,3)11-6-5-10-7-8-12-4/h10-11H,5-8H2,1-4H3
InChIKeyWHUTUDWTVQMJEL-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
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-(methoxymethyl)ethane-1,2-diamine
CID 123157394
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(2-methoxyethyl)-N'-(2-methoxy-2-methylpropyl)ethane-1,2-diamine
CID 103019907
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
CID 177329395
CID 177329395
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine (CID 54806858) is N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is WHUTUDWTVQMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-9(2,3)11-6-5-10-7-8-12-4/h10-11H,5-8H2,1-4H3.
What are the key properties of N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 54806858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).