N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine

C16H32N2 — CID 43121717

IUPACN-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)CCCCCCNC1CN2CCC1CC2
InChIInChI=1S/C16H32N2/c1-14(2)7-5-3-4-6-10-17-16-13-18-11-8-15(16)9-12-18/h14-17H,3-13H2,1-2H3
InChIKeyFSABTNWBVDWPIR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds8

About N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43121717) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43121717
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)CCCCCCNC1CN2CCC1CC2
InChIInChI=1S/C16H32N2/c1-14(2)7-5-3-4-6-10-17-16-13-18-11-8-15(16)9-12-18/h14-17H,3-13H2,1-2H3
InChIKeyFSABTNWBVDWPIR-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
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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Related Compounds

5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
CID 106122442
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 107006523
N-octyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364790
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292
N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 134940573
N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363775
N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43807688
N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853657
6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711016
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-2,3-dimethylbutan-2-ol
CID 114492721
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
N-(7-methyloctyl)cyclooctanamine
CID 29032555

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43121717) is N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine is CC(C)CCCCCCNC1CN2CCC1CC2.
What is the InChIKey of N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is FSABTNWBVDWPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)7-5-3-4-6-10-17-16-13-18-11-8-15(16)9-12-18/h14-17H,3-13H2,1-2H3.
What are the key properties of N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43121717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).