1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine

C14H26N2O2 — CID 154417919

IUPAC1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCCN(CCOCCOC)C1=CCC(C)(N)C=C1
InChIInChI=1S/C14H26N2O2/c1-4-16(9-10-18-12-11-17-3)13-5-7-14(2,15)8-6-13/h5-7H,4,8-12,15H2,1-3H3
InChIKeyKUWXEHINSOWSHM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds8

About 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine

1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 154417919) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine
PubChem CID154417919
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCCN(CCOCCOC)C1=CCC(C)(N)C=C1
InChIInChI=1S/C14H26N2O2/c1-4-16(9-10-18-12-11-17-3)13-5-7-14(2,15)8-6-13/h5-7H,4,8-12,15H2,1-3H3
InChIKeyKUWXEHINSOWSHM-UHFFFAOYSA-N
XLogP1.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
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 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine (CID 154417919) is 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine is CCN(CCOCCOC)C1=CCC(C)(N)C=C1.
What is the InChIKey of 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is KUWXEHINSOWSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-16(9-10-18-12-11-17-3)13-5-7-14(2,15)8-6-13/h5-7H,4,8-12,15H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine?
1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 254.37 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-[2-(2-methoxyethoxy)ethyl]-4-methylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 154417919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).