N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H28N2O — CID 63085857

IUPACN-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C(C)Cc1ccco1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H28N2O/c1-3-8-19(13(2)10-17-5-4-9-20-17)16-11-14-6-7-15(12-16)18-14/h4-5,9,13-16,18H,3,6-8,10-12H2,1-2H3
InChIKeyCGFSDKTVHZPKNG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds6

About N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63085857) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63085857
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C(C)Cc1ccco1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H28N2O/c1-3-8-19(13(2)10-17-5-4-9-20-17)16-11-14-6-7-15(12-16)18-14/h4-5,9,13-16,18H,3,6-8,10-12H2,1-2H3
InChIKeyCGFSDKTVHZPKNG-UHFFFAOYSA-N
XLogP3.21
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461
N-[1-(3-chlorophenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231118
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83109805
N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61230349
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
2-[azetidin-3-yl(propyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 66214705
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
CID 61231954
3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 134086012
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 61231079
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 79610300
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 55087669
N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232068

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 63085857) is N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(C(C)Cc1ccco1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CGFSDKTVHZPKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-8-19(13(2)10-17-5-4-9-20-17)16-11-14-6-7-15(12-16)18-14/h4-5,9,13-16,18H,3,6-8,10-12H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63085857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).