1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C16H24N2O2 — CID 173154936

IUPAC1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNCCCCCOc1c(C(N)=O)ccc2c1CCCC2
InChIInChI=1S/C16H24N2O2/c17-10-4-1-5-11-20-15-13-7-3-2-6-12(13)8-9-14(15)16(18)19/h8-9H,1-7,10-11,17H2,(H2,18,19)
InChIKeyCPFRSDBDANLBCT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.17
Rot. Bonds7

About 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 173154936) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID173154936
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNCCCCCOc1c(C(N)=O)ccc2c1CCCC2
InChIInChI=1S/C16H24N2O2/c17-10-4-1-5-11-20-15-13-7-3-2-6-12(13)8-9-14(15)16(18)19/h8-9H,1-7,10-11,17H2,(H2,18,19)
InChIKeyCPFRSDBDANLBCT-UHFFFAOYSA-N
XLogP2.17
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 173154936) is 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is NCCCCCOc1c(C(N)=O)ccc2c1CCCC2.
What is the InChIKey of 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is CPFRSDBDANLBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-10-4-1-5-11-20-15-13-7-3-2-6-12(13)8-9-14(15)16(18)19/h8-9H,1-7,10-11,17H2,(H2,18,19).
What are the key properties of 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 173154936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).