N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine

C11H24N2O — CID 43194070

IUPACN',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCC1CCOC1
InChIInChI=1S/C11H24N2O/c1-3-13(4-2)7-6-12-9-11-5-8-14-10-11/h11-12H,3-10H2,1-2H3
InChIKeyHBNXMUXRNKRCON-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds7

About N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine

N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43194070) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
PubChem CID43194070
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC)CCNCC1CCOC1
InChIInChI=1S/C11H24N2O/c1-3-13(4-2)7-6-12-9-11-5-8-14-10-11/h11-12H,3-10H2,1-2H3
InChIKeyHBNXMUXRNKRCON-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine (CID 43194070) is N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine is CCN(CC)CCNCC1CCOC1.
What is the InChIKey of N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is HBNXMUXRNKRCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-13(4-2)7-6-12-9-11-5-8-14-10-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43194070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).