N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H24N2O2 — CID 107842560

IUPACN-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCCCCO)C1CC2CCC1N2
InChIInChI=1S/C13H24N2O2/c16-8-4-2-1-3-7-14-13(17)11-9-10-5-6-12(11)15-10/h10-12,15-16H,1-9H2,(H,14,17)
InChIKeyPHSAKXDONXAPPH-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.80
Rot. Bonds7

About N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107842560) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107842560
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCCCCO)C1CC2CCC1N2
InChIInChI=1S/C13H24N2O2/c16-8-4-2-1-3-7-14-13(17)11-9-10-5-6-12(11)15-10/h10-12,15-16H,1-9H2,(H,14,17)
InChIKeyPHSAKXDONXAPPH-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113441124
N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 115739349
N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106176726
N-(4-hydroxy-2,2-dimethylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114150080
N-[2-(dimethylsulfamoyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114175261
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
N-[2-(2-hydroxyethyl)pentyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114145522
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 112701950
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106135216
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 107842560) is N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCCCCCO)C1CC2CCC1N2.
What is the InChIKey of N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PHSAKXDONXAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-8-4-2-1-3-7-14-13(17)11-9-10-5-6-12(11)15-10/h10-12,15-16H,1-9H2,(H,14,17).
What are the key properties of N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107842560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).