N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H32N2O2 — CID 81094464

IUPACN-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCOC(CNCCN(C(C)C)C(C)C)OCC
InChIInChI=1S/C14H32N2O2/c1-7-17-14(18-8-2)11-15-9-10-16(12(3)4)13(5)6/h12-15H,7-11H2,1-6H3
InChIKeyUZOZYJKKAIDKGU-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.09
Rot. Bonds11

About N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 81094464) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID81094464
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC NameN-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCOC(CNCCN(C(C)C)C(C)C)OCC
InChIInChI=1S/C14H32N2O2/c1-7-17-14(18-8-2)11-15-9-10-16(12(3)4)13(5)6/h12-15H,7-11H2,1-6H3
InChIKeyUZOZYJKKAIDKGU-UHFFFAOYSA-N
XLogP2.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 81094464) is N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCOC(CNCCN(C(C)C)C(C)C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is UZOZYJKKAIDKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-7-17-14(18-8-2)11-15-9-10-16(12(3)4)13(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 2.09, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 81094464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).