N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine

C11H24N2O — CID 62554345

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CC)C(C)COC
InChIInChI=1S/C11H24N2O/c1-5-7-12-8-9-13(6-2)11(3)10-14-4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyFDOBWPAEOGVMRG-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.12
Rot. Bonds9

About N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 62554345) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
PubChem CID62554345
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CC)C(C)COC
InChIInChI=1S/C11H24N2O/c1-5-7-12-8-9-13(6-2)11(3)10-14-4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyFDOBWPAEOGVMRG-UHFFFAOYSA-N
XLogP1.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.12
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'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine (CID 62554345) is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(CC)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is FDOBWPAEOGVMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-7-12-8-9-13(6-2)11(3)10-14-4/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62554345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).