N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine

C13H23NO — CID 143935689

IUPACN,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CCCC(C)=C1
InChIInChI=1S/C13H23NO/c1-4-14(5-2)9-10-15-13-8-6-7-12(3)11-13/h8,11H,4-7,9-10H2,1-3H3
InChIKeyYFJLXBQQKVIWJS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds6

About N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine

N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine (PubChem CID 143935689) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
PubChem CID143935689
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CCCC(C)=C1
InChIInChI=1S/C13H23NO/c1-4-14(5-2)9-10-15-13-8-6-7-12(3)11-13/h8,11H,4-7,9-10H2,1-3H3
InChIKeyYFJLXBQQKVIWJS-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
CID 142114831
N-ethyl-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]-3-methylbutan-1-amine
CID 156370004
2-[(3S,4S)-2-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxy-N,N-dimethylethanamine
CID 164736921
2-(2-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 166648988
2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine
CID 20690182
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine
CID 54095924
2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine
CID 57218035
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 68902382

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine (CID 143935689) is N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine is CCN(CC)CCOC1=CCCC(C)=C1.
What is the InChIKey of N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The InChIKey is YFJLXBQQKVIWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-14(5-2)9-10-15-13-8-6-7-12(3)11-13/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine is sourced from PubChem (CID 143935689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).