N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C18H35N3 — CID 62740549

IUPACN-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2C1CCN(CCC)CC1
InChIInChI=1S/C18H35N3/c1-3-9-19-15-13-17-5-6-18(14-15)21(17)16-7-11-20(10-4-2)12-8-16/h15-19H,3-14H2,1-2H3
InChIKeyVJGGYJMKQUFJNJ-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.86
Rot. Bonds6

About N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740549) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740549
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2C1CCN(CCC)CC1
InChIInChI=1S/C18H35N3/c1-3-9-19-15-13-17-5-6-18(14-15)21(17)16-7-11-20(10-4-2)12-8-16/h15-19H,3-14H2,1-2H3
InChIKeyVJGGYJMKQUFJNJ-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
8-(1-ethylpiperidin-3-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738636
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
8-(2-methylcyclopentyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63281615
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
3-(4-ethylpiperazin-1-yl)-N-propylcyclopentan-1-amine
CID 79642695
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
N-(3-fluoropropyl)-1-propylpiperidin-4-amine
CID 81106690
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581

Frequently Asked Questions

What is the IUPAC name of N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62740549) is N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2C1CCN(CCC)CC1.
What is the InChIKey of N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VJGGYJMKQUFJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-9-19-15-13-17-5-6-18(14-15)21(17)16-7-11-20(10-4-2)12-8-16/h15-19H,3-14H2,1-2H3.
What are the key properties of N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 293.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).