N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine

C14H30N2O2 — CID 55241647

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)C1CCCOC1
InChIInChI=1S/C14H30N2O2/c1-12(2)10-16(6-8-17-3)14(9-15)13-5-4-7-18-11-13/h12-14H,4-11,15H2,1-3H3
InChIKeyWJDWKIAWKIKYIG-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.34
Rot. Bonds8

About N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 55241647) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID55241647
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)C1CCCOC1
InChIInChI=1S/C14H30N2O2/c1-12(2)10-16(6-8-17-3)14(9-15)13-5-4-7-18-11-13/h12-14H,4-11,15H2,1-3H3
InChIKeyWJDWKIAWKIKYIG-UHFFFAOYSA-N
XLogP1.34
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine (CID 55241647) is N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine is COCCN(CC(C)C)C(CN)C1CCCOC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is WJDWKIAWKIKYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)10-16(6-8-17-3)14(9-15)13-5-4-7-18-11-13/h12-14H,4-11,15H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 55241647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).