N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine

C10H22N2O2 — CID 62540974

IUPACN-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCOCCNC(CN)C1CCOCC1
InChIInChI=1S/C10H22N2O2/c1-13-7-4-12-10(8-11)9-2-5-14-6-3-9/h9-10,12H,2-8,11H2,1H3
InChIKeyQXIJAEZVTLYZFU-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.02
Rot. Bonds6

About N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62540974) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62540974
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCOCCNC(CN)C1CCOCC1
InChIInChI=1S/C10H22N2O2/c1-13-7-4-12-10(8-11)9-2-5-14-6-3-9/h9-10,12H,2-8,11H2,1H3
InChIKeyQXIJAEZVTLYZFU-UHFFFAOYSA-N
XLogP-0.02
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine (CID 62540974) is N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine is COCCNC(CN)C1CCOCC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is QXIJAEZVTLYZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-13-7-4-12-10(8-11)9-2-5-14-6-3-9/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62540974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).