N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine

C12H24N2O — CID 62554853

IUPACN'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CC)CC1CCCO1
InChIInChI=1S/C12H24N2O/c1-3-7-13-8-9-14(4-2)11-12-6-5-10-15-12/h3,12-13H,1,4-11H2,2H3
InChIKeyVMEGYVTYTJVZCT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds8

About N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine

N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 62554853) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine
PubChem CID62554853
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CC)CC1CCCO1
InChIInChI=1S/C12H24N2O/c1-3-7-13-8-9-14(4-2)11-12-6-5-10-15-12/h3,12-13H,1,4-11H2,2H3
InChIKeyVMEGYVTYTJVZCT-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine (CID 62554853) is N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(CC)CC1CCCO1.
What is the InChIKey of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is VMEGYVTYTJVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-7-13-8-9-14(4-2)11-12-6-5-10-15-12/h3,12-13H,1,4-11H2,2H3.
What are the key properties of N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine?
N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62554853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).