5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine

C12H22N2O — CID 139780446

IUPAC5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
SMILESCCC1(C)CC(NCCOC)=CC=C1N
InChIInChI=1S/C12H22N2O/c1-4-12(2)9-10(5-6-11(12)13)14-7-8-15-3/h5-6,14H,4,7-9,13H2,1-3H3
InChIKeyNUJCZEVTJMGZNA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.77
Rot. Bonds5

About 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine

5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine (PubChem CID 139780446) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
PubChem CID139780446
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
SMILESCCC1(C)CC(NCCOC)=CC=C1N
InChIInChI=1S/C12H22N2O/c1-4-12(2)9-10(5-6-11(12)13)14-7-8-15-3/h5-6,14H,4,7-9,13H2,1-3H3
InChIKeyNUJCZEVTJMGZNA-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-N-[2-(3-methylbutoxy)ethyl]cyclohexa-3,5-diene-1,3-diamine
CID 89810004
1-ethyl-1-N-(2-propan-2-yloxyethyl)cyclohexa-3,5-diene-1,3-diamine
CID 89811047
(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine
CID 134406202
N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
CID 142350896
2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine
CID 142862512
1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
CID 154223064
N-(2-methoxyethyl)cyclohexen-1-amine
CID 54425552
2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-N-(2-methoxyethyl)ethanamine
CID 142861949

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine (CID 139780446) is 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine is CCC1(C)CC(NCCOC)=CC=C1N.
What is the InChIKey of 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The InChIKey is NUJCZEVTJMGZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(2)9-10(5-6-11(12)13)14-7-8-15-3/h5-6,14H,4,7-9,13H2,1-3H3.
What are the key properties of 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 139780446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).