2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine

C14H32N2O — CID 63691618

IUPAC2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCOCCN(CC)C(C)CNC(C)(C)CC
InChIInChI=1S/C14H32N2O/c1-7-14(5,6)15-12-13(4)16(8-2)10-11-17-9-3/h13,15H,7-12H2,1-6H3
InChIKeyXODZSWXEOQWONM-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.51
Rot. Bonds10

About 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine

2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 63691618) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
PubChem CID63691618
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCOCCN(CC)C(C)CNC(C)(C)CC
InChIInChI=1S/C14H32N2O/c1-7-14(5,6)15-12-13(4)16(8-2)10-11-17-9-3/h13,15H,7-12H2,1-6H3
InChIKeyXODZSWXEOQWONM-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.51
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

1-N-tert-butyl-2-N,2-N-bis(2-ethoxyethyl)propane-1,2-diamine
CID 82953132
3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63692329
3-N-(2-ethoxyethyl)-3-N-ethylbutane-1,3-diamine
CID 63698411
2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 62568016
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
CID 62568783
2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile
CID 64727930
2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine
CID 102997787
4-[2-ethoxyethyl(ethyl)amino]pentan-2-one
CID 64696903
4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 82944529
2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 82952256
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62558337

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine (CID 63691618) is 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine is CCOCCN(CC)C(C)CNC(C)(C)CC.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is XODZSWXEOQWONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-14(5,6)15-12-13(4)16(8-2)10-11-17-9-3/h13,15H,7-12H2,1-6H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63691618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).