2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine

C9H22N2O — CID 79812859

IUPAC2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine
SMILESCCC(N)(CC)CNCCOC
InChIInChI=1S/C9H22N2O/c1-4-9(10,5-2)8-11-6-7-12-3/h11H,4-8,10H2,1-3H3
InChIKeyUZBXZLHERQTIRA-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.74
Rot. Bonds7

About 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine

2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine (PubChem CID 79812859) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine
PubChem CID79812859
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine
SMILESCCC(N)(CC)CNCCOC
InChIInChI=1S/C9H22N2O/c1-4-9(10,5-2)8-11-6-7-12-3/h11H,4-8,10H2,1-3H3
InChIKeyUZBXZLHERQTIRA-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.74
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

2-ethyl-2-N-methyl-2-N-[2-(trifluoromethoxy)ethyl]butane-1,2-diamine
CID 65802983
2-N,2-diethyl-2-N-[2-(trifluoromethoxy)ethyl]butane-1,2-diamine
CID 65802984
2-ethyl-2-N-propyl-2-N-[2-(trifluoromethoxy)ethyl]butane-1,2-diamine
CID 65802985
4-[3-(Aminomethyl)pentan-3-yl]morpholine
CID 24692881
2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 28425820
N-(2-methoxyethyl)-2-methylbutan-2-amine
CID 28565352
N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 54807023
N-(2-ethoxyethyl)-4-propylheptan-4-amine
CID 57099189
1-[3-(Methoxymethyl)pentan-3-yl]piperazine
CID 57449815
N-(2-methoxyethyl)-2,4,4-trimethylpentan-2-amine
CID 60976324
1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539719
2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 62540263

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine (CID 79812859) is 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine is CCC(N)(CC)CNCCOC.
What is the InChIKey of 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine?
The InChIKey is UZBXZLHERQTIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-9(10,5-2)8-11-6-7-12-3/h11H,4-8,10H2,1-3H3.
What are the key properties of 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine?
2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine is sourced from PubChem (CID 79812859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).