N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine

C13H28N2O2 — CID 63742180

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)C1CCCOC1
InChIInChI=1S/C13H28N2O2/c1-4-15(11(2)9-16-3)13(8-14)12-6-5-7-17-10-12/h11-13H,4-10,14H2,1-3H3
InChIKeyGBOVGOGVFZBRMD-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds7

About N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine

N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 63742180) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID63742180
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)C1CCCOC1
InChIInChI=1S/C13H28N2O2/c1-4-15(11(2)9-16-3)13(8-14)12-6-5-7-17-10-12/h11-13H,4-10,14H2,1-3H3
InChIKeyGBOVGOGVFZBRMD-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine (CID 63742180) is N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine is CCN(C(C)COC)C(CN)C1CCCOC1.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is GBOVGOGVFZBRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-15(11(2)9-16-3)13(8-14)12-6-5-7-17-10-12/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine?
N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63742180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).