N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine

C22H31NO — CID 6444456

IUPACN,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine
SMILESC/C=C/CC(COCCN(CC)CC)c1cccc2ccccc12
InChIInChI=1S/C22H31NO/c1-4-7-11-20(18-24-17-16-23(5-2)6-3)22-15-10-13-19-12-8-9-14-21(19)22/h4,7-10,12-15,20H,5-6,11,16-18H2,1-3H3/b7-4+
InChIKeySJKATZBONCXYQR-QPJJXVBHSA-N
MW325.50 g/mol
LogP5.25
Rot. Bonds10

About N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine

N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine (PubChem CID 6444456) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine
PubChem CID6444456
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC NameN,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine
SMILESC/C=C/CC(COCCN(CC)CC)c1cccc2ccccc12
InChIInChI=1S/C22H31NO/c1-4-7-11-20(18-24-17-16-23(5-2)6-3)22-15-10-13-19-12-8-9-14-21(19)22/h4,7-10,12-15,20H,5-6,11,16-18H2,1-3H3/b7-4+
InChIKeySJKATZBONCXYQR-QPJJXVBHSA-N
XLogP5.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine (CID 6444456) is N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine is C/C=C/CC(COCCN(CC)CC)c1cccc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine?
The InChIKey is SJKATZBONCXYQR-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H31NO/c1-4-7-11-20(18-24-17-16-23(5-2)6-3)22-15-10-13-19-12-8-9-14-21(19)22/h4,7-10,12-15,20H,5-6,11,16-18H2,1-3H3/b7-4+.
What are the key properties of N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine?
N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine has a molecular weight of 325.50 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethanamine is sourced from PubChem (CID 6444456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).