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

C14H26N2O — CID 69336016

IUPAC1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
SMILESCCN(CC)C1=CC=C(N)C(C)(CCOC)C1
InChIInChI=1S/C14H26N2O/c1-5-16(6-2)12-7-8-13(15)14(3,11-12)9-10-17-4/h7-8H,5-6,9-11,15H2,1-4H3
InChIKeyNOMFIOHNXOFYGI-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.50
Rot. Bonds6

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

1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine (PubChem CID 69336016) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
PubChem CID69336016
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine
SMILESCCN(CC)C1=CC=C(N)C(C)(CCOC)C1
InChIInChI=1S/C14H26N2O/c1-5-16(6-2)12-7-8-13(15)14(3,11-12)9-10-17-4/h7-8H,5-6,9-11,15H2,1-4H3
InChIKeyNOMFIOHNXOFYGI-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine (CID 69336016) is 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine is CCN(CC)C1=CC=C(N)C(C)(CCOC)C1.
What is the InChIKey of 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
The InChIKey is NOMFIOHNXOFYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-16(6-2)12-7-8-13(15)14(3,11-12)9-10-17-4/h7-8H,5-6,9-11,15H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine?
1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-5-(2-methoxyethyl)-5-methylcyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 69336016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).