N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine

C22H27NO — CID 169493068

IUPACN-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine
SMILESc1ccc2c(NCCOC34CC5CC(CC(C5)C3)C4)cccc2c1
InChIInChI=1S/C22H27NO/c1-2-6-20-19(4-1)5-3-7-21(20)23-8-9-24-22-13-16-10-17(14-22)12-18(11-16)15-22/h1-7,16-18,23H,8-15H2
InChIKeyIOLAOURQJJZGFR-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.24
Rot. Bonds5

About N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine

N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine (PubChem CID 169493068) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine
PubChem CID169493068
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC NameN-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine
SMILESc1ccc2c(NCCOC34CC5CC(CC(C5)C3)C4)cccc2c1
InChIInChI=1S/C22H27NO/c1-2-6-20-19(4-1)5-3-7-21(20)23-8-9-24-22-13-16-10-17(14-22)12-18(11-16)15-22/h1-7,16-18,23H,8-15H2
InChIKeyIOLAOURQJJZGFR-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine?
The IUPAC name of N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine (CID 169493068) is N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine?
The canonical SMILES for N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine is c1ccc2c(NCCOC34CC5CC(CC(C5)C3)C4)cccc2c1.
What is the InChIKey of N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine?
The InChIKey is IOLAOURQJJZGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-2-6-20-19(4-1)5-3-7-21(20)23-8-9-24-22-13-16-10-17(14-22)12-18(11-16)15-22/h1-7,16-18,23H,8-15H2.
What are the key properties of N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine?
N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine has a molecular weight of 321.46 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyloxy)ethyl]naphthalen-1-amine is sourced from PubChem (CID 169493068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).