1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine

C14H32N2O — CID 66453452

IUPAC1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
SMILESCCNC(C)C(C)(C)CN(CC)CCOCC
InChIInChI=1S/C14H32N2O/c1-7-15-13(4)14(5,6)12-16(8-2)10-11-17-9-3/h13,15H,7-12H2,1-6H3
InChIKeySBADILNJMIUMHS-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds10

About 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine

1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine (PubChem CID 66453452) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
PubChem CID66453452
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
SMILESCCNC(C)C(C)(C)CN(CC)CCOCC
InChIInChI=1S/C14H32N2O/c1-7-15-13(4)14(5,6)12-16(8-2)10-11-17-9-3/h13,15H,7-12H2,1-6H3
InChIKeySBADILNJMIUMHS-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine
CID 82952294
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
N-(2-ethoxyethyl)-N,N'-diethyl-2,2-dimethylpropane-1,3-diamine
CID 63692665
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 55226146
3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 82960819
N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650
1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
CID 115475349
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
1-N-ethyl-2,2-dimethyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 66455583

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine (CID 66453452) is 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine is CCNC(C)C(C)(C)CN(CC)CCOCC.
What is the InChIKey of 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine?
The InChIKey is SBADILNJMIUMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-15-13(4)14(5,6)12-16(8-2)10-11-17-9-3/h13,15H,7-12H2,1-6H3.
What are the key properties of 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine?
1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 66453452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).