1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine

C16H36N2O2 — CID 82952294

IUPAC1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine
SMILESCCNC(C)C(C)(C)CN(CCOCC)CCOCC
InChIInChI=1S/C16H36N2O2/c1-7-17-15(4)16(5,6)14-18(10-12-19-8-2)11-13-20-9-3/h15,17H,7-14H2,1-6H3
InChIKeyMVCWZHARBVSKIA-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.39
Rot. Bonds13

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

1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine (PubChem CID 82952294) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine
PubChem CID82952294
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine
SMILESCCNC(C)C(C)(C)CN(CCOCC)CCOCC
InChIInChI=1S/C16H36N2O2/c1-7-17-15(4)16(5,6)14-18(10-12-19-8-2)11-13-20-9-3/h15,17H,7-14H2,1-6H3
InChIKeyMVCWZHARBVSKIA-UHFFFAOYSA-N
XLogP2.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine (CID 82952294) is 1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine is CCNC(C)C(C)(C)CN(CCOCC)CCOCC.
What is the InChIKey of 1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine?
The InChIKey is MVCWZHARBVSKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-7-17-15(4)16(5,6)14-18(10-12-19-8-2)11-13-20-9-3/h15,17H,7-14H2,1-6H3.
What are the key properties of 1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine?
1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 2.39, 13 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)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 82952294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).