N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine

C14H28N2O — CID 105363775

IUPACN-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)COCCCNC1CCN2CCC1C2
InChIInChI=1S/C14H28N2O/c1-12(2)11-17-9-3-6-15-14-5-8-16-7-4-13(14)10-16/h12-15H,3-11H2,1-2H3
InChIKeyWYTOVUGTBUHDDW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105363775) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105363775
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)COCCCNC1CCN2CCC1C2
InChIInChI=1S/C14H28N2O/c1-12(2)11-17-9-3-6-15-14-5-8-16-7-4-13(14)10-16/h12-15H,3-11H2,1-2H3
InChIKeyWYTOVUGTBUHDDW-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364802
N-octyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364790
N-(3-methoxy-2-methylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364526
N-(4-methylsulfanylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364898
N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
1,2,5-trimethyl-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43665520
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364511
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
CID 106122442
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105363775) is N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine is CC(C)COCCCNC1CCN2CCC1C2.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is WYTOVUGTBUHDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)11-17-9-3-6-15-14-5-8-16-7-4-13(14)10-16/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105363775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).