N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine

C14H23NO — CID 143935691

IUPACN,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CC=C(C)C=CC1
InChIInChI=1S/C14H23NO/c1-4-15(5-2)11-12-16-14-8-6-7-13(3)9-10-14/h6-7,9-10H,4-5,8,11-12H2,1-3H3
InChIKeyGAAKFJSPIRVGBQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds6

About N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine

N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine (PubChem CID 143935691) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine
PubChem CID143935691
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine
SMILESCCN(CC)CCOC1=CC=C(C)C=CC1
InChIInChI=1S/C14H23NO/c1-4-15(5-2)11-12-16-14-8-6-7-13(3)9-10-14/h6-7,9-10H,4-5,8,11-12H2,1-3H3
InChIKeyGAAKFJSPIRVGBQ-UHFFFAOYSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.13
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-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine (CID 143935691) is N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine is CCN(CC)CCOC1=CC=C(C)C=CC1.
What is the InChIKey of N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine?
The InChIKey is GAAKFJSPIRVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15(5-2)11-12-16-14-8-6-7-13(3)9-10-14/h6-7,9-10H,4-5,8,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine?
N,N-diethyl-2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.13, 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-methylcyclohepta-1,3,5-trien-1-yl)oxyethanamine is sourced from PubChem (CID 143935691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).