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

C12H22N2O — CID 154223064

IUPAC1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
SMILESCCNC1=CC=C(N)C(C)(CCOC)C1
InChIInChI=1S/C12H22N2O/c1-4-14-10-5-6-11(13)12(2,9-10)7-8-15-3/h5-6,14H,4,7-9,13H2,1-3H3
InChIKeyDFINTBTUITXVSF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.77
Rot. Bonds5

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

1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine (PubChem CID 154223064) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
PubChem CID154223064
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
SMILESCCNC1=CC=C(N)C(C)(CCOC)C1
InChIInChI=1S/C12H22N2O/c1-4-14-10-5-6-11(13)12(2,9-10)7-8-15-3/h5-6,14H,4,7-9,13H2,1-3H3
InChIKeyDFINTBTUITXVSF-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

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Related Compounds

1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
CID 69336016
(4S)-4-N-(5-methoxypentyl)-4-methylcyclohexa-1,5-diene-1,4-diamine
CID 70974521
1-(2-methoxyethyl)-1-N-propylcyclohexa-3,5-diene-1,3-diamine
CID 89809761
5-ethyl-1-N-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
CID 139780446
(3E)-N-(5-methoxypentyl)-3-prop-1-en-2-ylpenta-1,3-dien-2-amine
CID 156050771
3-Ethyl-4-methyl-6-(oxolan-3-ylmethyl)-1,2-dihydropyridine
CID 163797160

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine (CID 154223064) is 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine is CCNC1=CC=C(N)C(C)(CCOC)C1.
What is the InChIKey of 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The InChIKey is DFINTBTUITXVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-14-10-5-6-11(13)12(2,9-10)7-8-15-3/h5-6,14H,4,7-9,13H2,1-3H3.
What are the key properties of 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
1-N-ethyl-5-(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 1-N-ethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 154223064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).