N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine

C13H26N2O2 — CID 114466516

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)10-17-8-5-15-13(9-14)12-3-6-16-7-4-12/h12-13,15H,1,3-10,14H2,2H3
InChIKeyCACLRMFOYLGRJM-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.92
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 114466516) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID114466516
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)10-17-8-5-15-13(9-14)12-3-6-16-7-4-12/h12-13,15H,1,3-10,14H2,2H3
InChIKeyCACLRMFOYLGRJM-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62540974
5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
CID 103391180
1-(1-ethylpiperidin-4-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 113589151
2-Methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 113589732
1-[2-(2-Methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine
CID 113589733
3-Butan-2-yl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 113589734
5-Butan-2-yl-2-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 113589735
3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114200861
N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine
CID 114465606
N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine
CID 114466085
2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine
CID 114466189
4-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466228

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine (CID 114466516) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine is C=C(C)COCCNC(CN)C1CCOCC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is CACLRMFOYLGRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)10-17-8-5-15-13(9-14)12-3-6-16-7-4-12/h12-13,15H,1,3-10,14H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114466516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).