8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H33N3 — CID 83024323

IUPAC8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2N1C(C)CCCC1C
InChIInChI=1S/C17H33N3/c1-4-10-18-15-11-16-8-9-17(12-15)20(16)19-13(2)6-5-7-14(19)3/h13-18H,4-12H2,1-3H3
InChIKeyXRKOUSATVSWAED-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.16
Rot. Bonds4

About 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 83024323) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID83024323
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2N1C(C)CCCC1C
InChIInChI=1S/C17H33N3/c1-4-10-18-15-11-16-8-9-17(12-15)20(16)19-13(2)6-5-7-14(19)3/h13-18H,4-12H2,1-3H3
InChIKeyXRKOUSATVSWAED-UHFFFAOYSA-N
XLogP3.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-methylcyclopentyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63281615
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79630966
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
1-(2,6-dimethylpiperidin-1-yl)-N-propylpiperidin-3-amine
CID 83023844
9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712605

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 83024323) is 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2N1C(C)CCCC1C.
What is the InChIKey of 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XRKOUSATVSWAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-10-18-15-11-16-8-9-17(12-15)20(16)19-13(2)6-5-7-14(19)3/h13-18H,4-12H2,1-3H3.
What are the key properties of 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 83024323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).