N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C18H28N2 — CID 43732518

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(C)c(C(C)NC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C18H28N2/c1-12-5-6-13(2)18(9-12)14(3)19-15-10-16-7-8-17(11-15)20(16)4/h5-6,9,14-17,19H,7-8,10-11H2,1-4H3
InChIKeyKHZXEXSNKYPFTO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43732518) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43732518
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(C)c(C(C)NC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C18H28N2/c1-12-5-6-13(2)18(9-12)14(3)19-15-10-16-7-8-17(11-15)20(16)4/h5-6,9,14-17,19H,7-8,10-11H2,1-4H3
InChIKeyKHZXEXSNKYPFTO-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43732518) is N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is Cc1ccc(C)c(C(C)NC2CC3CCC(C2)N3C)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KHZXEXSNKYPFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-12-5-6-13(2)18(9-12)14(3)19-15-10-16-7-8-17(11-15)20(16)4/h5-6,9,14-17,19H,7-8,10-11H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43732518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).