N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

C10H22N2O — CID 61387222

IUPACN-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCCNCCN(C)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-3-11-6-7-12(2)10-4-8-13-9-5-10/h10-11H,3-9H2,1-2H3
InChIKeyQSYVAQUCKSQACB-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

About N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 61387222) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID61387222
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCCNCCN(C)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-3-11-6-7-12(2)10-4-8-13-9-5-10/h10-11H,3-9H2,1-2H3
InChIKeyQSYVAQUCKSQACB-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
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-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (CID 61387222) is N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is CCNCCN(C)C1CCOCC1.
What is the InChIKey of N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is QSYVAQUCKSQACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-11-6-7-12(2)10-4-8-13-9-5-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 61387222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).