4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine

C12H22N2O — CID 19818322

IUPAC4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine
SMILESCCNC1C=CC(N)(CCOC)C(C)=C1
InChIInChI=1S/C12H22N2O/c1-4-14-11-5-6-12(13,7-8-15-3)10(2)9-11/h5-6,9,11,14H,4,7-8,13H2,1-3H3
InChIKeyQSEQZVGRFWKADW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.21
Rot. Bonds5

About 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine

4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine (PubChem CID 19818322) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine
PubChem CID19818322
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine
SMILESCCNC1C=CC(N)(CCOC)C(C)=C1
InChIInChI=1S/C12H22N2O/c1-4-14-11-5-6-12(13,7-8-15-3)10(2)9-11/h5-6,9,11,14H,4,7-8,13H2,1-3H3
InChIKeyQSEQZVGRFWKADW-UHFFFAOYSA-N
XLogP1.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine (CID 19818322) is 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine is CCNC1C=CC(N)(CCOC)C(C)=C1.
What is the InChIKey of 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine?
The InChIKey is QSEQZVGRFWKADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-14-11-5-6-12(13,7-8-15-3)10(2)9-11/h5-6,9,11,14H,4,7-8,13H2,1-3H3.
What are the key properties of 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine?
4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-(2-methoxyethyl)-2-methylcyclohexa-2,5-diene-1,4-diamine is sourced from PubChem (CID 19818322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).