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

C15H29NO — CID 143935676

IUPACN,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane
SMILESCC.CCN(CC)CCOC1=C(C)CCC=C1
InChIInChI=1S/C13H23NO.C2H6/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3;1-2/h7,9H,4-6,8,10-11H2,1-3H3;1-2H3
InChIKeyCDHXITJLIDPXCD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.99
Rot. Bonds6

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

N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane (PubChem CID 143935676) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane
PubChem CID143935676
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane
SMILESCC.CCN(CC)CCOC1=C(C)CCC=C1
InChIInChI=1S/C13H23NO.C2H6/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3;1-2/h7,9H,4-6,8,10-11H2,1-3H3;1-2H3
InChIKeyCDHXITJLIDPXCD-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.99
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
1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
CID 142259030
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
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane?
The IUPAC name of N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane (CID 143935676) is N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane.
What is the SMILES notation for N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane?
The canonical SMILES for N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane is CC.CCN(CC)CCOC1=C(C)CCC=C1.
What is the InChIKey of N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane?
The InChIKey is CDHXITJLIDPXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-4-14(5-2)10-11-15-13-9-7-6-8-12(13)3;1-2/h7,9H,4-6,8,10-11H2,1-3H3;1-2H3.
What are the key properties of N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane?
N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane has a molecular weight of 239.40 g/mol, XLogP of 3.99, 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-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane is sourced from PubChem (CID 143935676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).