1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine

C15H34N2O2 — CID 82965564

IUPAC1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine
SMILESCCOCCN(CCOCC)CC(NC)C(C)(C)C
InChIInChI=1S/C15H34N2O2/c1-7-18-11-9-17(10-12-19-8-2)13-14(16-6)15(3,4)5/h14,16H,7-13H2,1-6H3
InChIKeyKJXFSZWTYXNQAT-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.00
Rot. Bonds11

About 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine

1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine (PubChem CID 82965564) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine
PubChem CID82965564
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine
SMILESCCOCCN(CCOCC)CC(NC)C(C)(C)C
InChIInChI=1S/C15H34N2O2/c1-7-18-11-9-17(10-12-19-8-2)13-14(16-6)15(3,4)5/h14,16H,7-13H2,1-6H3
InChIKeyKJXFSZWTYXNQAT-UHFFFAOYSA-N
XLogP2.00
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 82965868
1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol
CID 82959902
1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 82952304
3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
CID 63690873
N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine
CID 82953791
ethane;1-N-ethyl-2-N,3,3-trimethyl-1-N-methylsulfanylbutane-1,2-diamine
CID 143195958
1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine
CID 82952294
methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate
CID 63690523
1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
CID 115475349
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine (CID 82965564) is 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine is CCOCCN(CCOCC)CC(NC)C(C)(C)C.
What is the InChIKey of 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine?
The InChIKey is KJXFSZWTYXNQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-7-18-11-9-17(10-12-19-8-2)13-14(16-6)15(3,4)5/h14,16H,7-13H2,1-6H3.
What are the key properties of 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine?
1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 2.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 82965564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).