N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine

C11H22N2O — CID 62561757

IUPACN'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)C1CCOCC1
InChIInChI=1S/C11H22N2O/c1-3-6-12-7-8-13(2)11-4-9-14-10-5-11/h3,11-12H,1,4-10H2,2H3
InChIKeyVIGZPUXBMBXGTN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.87
Rot. Bonds6

About N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine

N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 62561757) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine
PubChem CID62561757
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)C1CCOCC1
InChIInChI=1S/C11H22N2O/c1-3-6-12-7-8-13(2)11-4-9-14-10-5-11/h3,11-12H,1,4-10H2,2H3
InChIKeyVIGZPUXBMBXGTN-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.87
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'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine (CID 62561757) is N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(C)C1CCOCC1.
What is the InChIKey of N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is VIGZPUXBMBXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-6-12-7-8-13(2)11-4-9-14-10-5-11/h3,11-12H,1,4-10H2,2H3.
What are the key properties of N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine?
N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-4-yl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62561757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).