N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine

C13H23NO — CID 146239604

IUPACN,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CCC(C)C=C1
InChIInChI=1S/C13H23NO/c1-4-14(5-2)10-11-15-13-8-6-12(3)7-9-13/h6,8-9,12H,4-5,7,10-11H2,1-3H3
InChIKeyWBLZQLRZTLPQHI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.82
Rot. Bonds6

About N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine

N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine (PubChem CID 146239604) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
PubChem CID146239604
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CCC(C)C=C1
InChIInChI=1S/C13H23NO/c1-4-14(5-2)10-11-15-13-8-6-12(3)7-9-13/h6,8-9,12H,4-5,7,10-11H2,1-3H3
InChIKeyWBLZQLRZTLPQHI-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine (CID 146239604) is N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine is CCN(CC)CCOC1=CCC(C)C=C1.
What is the InChIKey of N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
The InChIKey is WBLZQLRZTLPQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-14(5-2)10-11-15-13-8-6-12(3)7-9-13/h6,8-9,12H,4-5,7,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine?
N,N-diethyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.82, 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-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine is sourced from PubChem (CID 146239604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).