N-octyl-1-azabicyclo[3.2.1]octan-4-amine

C15H30N2 — CID 105364790

IUPACN-octyl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCCCCCCCNC1CCN2CCC1C2
InChIInChI=1S/C15H30N2/c1-2-3-4-5-6-7-10-16-15-9-12-17-11-8-14(15)13-17/h14-16H,2-13H2,1H3
InChIKeyPYPQKUWKJIIBAP-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds8

About N-octyl-1-azabicyclo[3.2.1]octan-4-amine

N-octyl-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364790) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-octyl-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-octyl-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364790
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-octyl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCCCCCCCNC1CCN2CCC1C2
InChIInChI=1S/C15H30N2/c1-2-3-4-5-6-7-10-16-15-9-12-17-11-8-14(15)13-17/h14-16H,2-13H2,1H3
InChIKeyPYPQKUWKJIIBAP-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
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

N-(4-methylsulfanylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364898
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 105364559
N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363775
N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
CID 105363868
N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364522
2-(1-azabicyclo[3.2.1]octan-4-ylamino)acetamide
CID 105363555
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 107006523
N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 134940573
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
CID 106122442
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127

Frequently Asked Questions

What is the IUPAC name of N-octyl-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-octyl-1-azabicyclo[3.2.1]octan-4-amine (CID 105364790) is N-octyl-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-octyl-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-octyl-1-azabicyclo[3.2.1]octan-4-amine is CCCCCCCCNC1CCN2CCC1C2.
What is the InChIKey of N-octyl-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is PYPQKUWKJIIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-3-4-5-6-7-10-16-15-9-12-17-11-8-14(15)13-17/h14-16H,2-13H2,1H3.
What are the key properties of N-octyl-1-azabicyclo[3.2.1]octan-4-amine?
N-octyl-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).