N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine

C19H28N2 — CID 62739476

IUPACN-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc2c1CCCC2
InChIInChI=1S/C19H28N2/c1-2-20-15-12-16-10-11-17(13-15)21(16)19-9-5-7-14-6-3-4-8-18(14)19/h5,7,9,15-17,20H,2-4,6,8,10-13H2,1H3
InChIKeyPHIIEIXPOFCSMO-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.67
Rot. Bonds3

About N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739476) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739476
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc2c1CCCC2
InChIInChI=1S/C19H28N2/c1-2-20-15-12-16-10-11-17(13-15)21(16)19-9-5-7-14-6-3-4-8-18(14)19/h5,7,9,15-17,20H,2-4,6,8,10-13H2,1H3
InChIKeyPHIIEIXPOFCSMO-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739476) is N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1cccc2c1CCCC2.
What is the InChIKey of N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PHIIEIXPOFCSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-20-15-12-16-10-11-17(13-15)21(16)19-9-5-7-14-6-3-4-8-18(14)19/h5,7,9,15-17,20H,2-4,6,8,10-13H2,1H3.
What are the key properties of N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 284.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).