N-(3-naphthalen-2-yloxypropyl)octan-1-amine

C21H31NO — CID 10245079

IUPACN-(3-naphthalen-2-yloxypropyl)octan-1-amine
SMILESCCCCCCCCNCCCOc1ccc2ccccc2c1
InChIInChI=1S/C21H31NO/c1-2-3-4-5-6-9-15-22-16-10-17-23-21-14-13-19-11-7-8-12-20(19)18-21/h7-8,11-14,18,22H,2-6,9-10,15-17H2,1H3
InChIKeyGAIHJQZYZDZAKE-UHFFFAOYSA-N
MW313.48 g/mol
LogP5.56
Rot. Bonds12

About N-(3-naphthalen-2-yloxypropyl)octan-1-amine

N-(3-naphthalen-2-yloxypropyl)octan-1-amine (PubChem CID 10245079) has the molecular formula C21H31NO and a molecular weight of 313.48 g/mol. Its IUPAC name is N-(3-naphthalen-2-yloxypropyl)octan-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-yloxypropyl)octan-1-amine
PubChem CID10245079
Molecular FormulaC21H31NO
Molecular Weight313.48 g/mol
Exact Mass313.24
IUPAC NameN-(3-naphthalen-2-yloxypropyl)octan-1-amine
SMILESCCCCCCCCNCCCOc1ccc2ccccc2c1
InChIInChI=1S/C21H31NO/c1-2-3-4-5-6-9-15-22-16-10-17-23-21-14-13-19-11-7-8-12-20(19)18-21/h7-8,11-14,18,22H,2-6,9-10,15-17H2,1H3
InChIKeyGAIHJQZYZDZAKE-UHFFFAOYSA-N
XLogP5.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.48
LogP ≤ 55.56
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-(3-naphthalen-2-yloxypropyl)octan-1-amine?
The IUPAC name of N-(3-naphthalen-2-yloxypropyl)octan-1-amine (CID 10245079) is N-(3-naphthalen-2-yloxypropyl)octan-1-amine.
What is the SMILES notation for N-(3-naphthalen-2-yloxypropyl)octan-1-amine?
The canonical SMILES for N-(3-naphthalen-2-yloxypropyl)octan-1-amine is CCCCCCCCNCCCOc1ccc2ccccc2c1.
What is the InChIKey of N-(3-naphthalen-2-yloxypropyl)octan-1-amine?
The InChIKey is GAIHJQZYZDZAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO/c1-2-3-4-5-6-9-15-22-16-10-17-23-21-14-13-19-11-7-8-12-20(19)18-21/h7-8,11-14,18,22H,2-6,9-10,15-17H2,1H3.
What are the key properties of N-(3-naphthalen-2-yloxypropyl)octan-1-amine?
N-(3-naphthalen-2-yloxypropyl)octan-1-amine has a molecular weight of 313.48 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-yloxypropyl)octan-1-amine is sourced from PubChem (CID 10245079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).