N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine

C19H36N2 — CID 65088688

IUPACN-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCC1CCCC(N(CC)C2CC3CCC(C2)N3)CC1
InChIInChI=1S/C19H36N2/c1-3-6-15-7-5-8-18(12-9-15)21(4-2)19-13-16-10-11-17(14-19)20-16/h15-20H,3-14H2,1-2H3
InChIKeyBORUBHBBDAKPLL-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.34
Rot. Bonds5

About N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 65088688) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID65088688
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCC1CCCC(N(CC)C2CC3CCC(C2)N3)CC1
InChIInChI=1S/C19H36N2/c1-3-6-15-7-5-8-18(12-9-15)21(4-2)19-13-16-10-11-17(14-19)20-16/h15-20H,3-14H2,1-2H3
InChIKeyBORUBHBBDAKPLL-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 65088688) is N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine is CCCC1CCCC(N(CC)C2CC3CCC(C2)N3)CC1.
What is the InChIKey of N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BORUBHBBDAKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-3-6-15-7-5-8-18(12-9-15)21(4-2)19-13-16-10-11-17(14-19)20-16/h15-20H,3-14H2,1-2H3.
What are the key properties of N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 292.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 65088688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).